SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'SF4'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AFS_A_TESA325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		4 / 7 LEU A1110
HIS B  20
THR B  31
ASN B  42
 None
None
None
SF4  B 803 (-4.9A)
 1.36A 1afsA-3egwA:
undetectable		 1afsA-3egwA:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AFS_B_TESB325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		4 / 7 LEU A1110
HIS B  20
THR B  31
ASN B  42
 None
None
None
SF4  B 803 (-4.9A)
 1.36A 1afsB-3egwA:
undetectable		 1afsB-3egwA:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_J_TRPJ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 8 SER A 137
GLY A 194
THR A 356
ILE A 197
 None
SF4  A 582 (-3.9A)
None
None
 0.80A 1c9sI-1fehA:
undetectable
1c9sJ-1fehA:
undetectable		 1c9sI-1fehA:
9.41
1c9sJ-1fehA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_J_TRPJ81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 8 THR B 145
GLY B 205
THR B 156
ILE B 281
 SF4  B 803 (-3.9A)
None
None
None
 0.75A 1c9sI-3or2B:
undetectable
1c9sJ-3or2B:
undetectable		 1c9sI-3or2B:
11.35
1c9sJ-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 8 GLY A 194
THR A 356
ILE A 197
SER A 137
 SF4  A 582 (-3.9A)
None
None
None
 0.76A 1c9sU-1fehA:
undetectable
1c9sV-1fehA:
undetectable		 1c9sU-1fehA:
9.41
1c9sV-1fehA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1C9S_U_TRPU81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 8 GLY B 205
THR B 156
ILE B 281
THR B 145
 None
None
None
SF4  B 803 (-3.9A)
 0.75A 1c9sU-3or2B:
undetectable
1c9sV-3or2B:
undetectable		 1c9sU-3or2B:
11.35
1c9sV-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4F_D_ADND604_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA
FORMATE
DEHYDROGENASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 5 THR B  12
GLU A 197
HIS A 199
HIS A 218
 SF4  B1011 (-4.3A)
None
MGD  A1002 ( 4.5A)
None
 1.37A 1d4fD-1h0hB:
undetectable		 1d4fD-1h0hB:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DB1_A_VDXA428_2
(VITAMIN D NUCLEAR
RECEPTOR)		 3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA
(Archaeoglobus
fulgidus) 		4 / 6 LEU B 256
ILE B 207
ARG B 208
VAL B 236
 SF4  B 586 ( 4.9A)
None
None
None
 1.09A 1db1A-3mm5B:
undetectable		 1db1A-3mm5B:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DSC_C_DVAC2_0
(ACTINOMYCIN D)		 5e7o DMSO REDUCTASE
FAMILY TYPE II
ENZYME, IRON-SULFUR
SUBUNIT
(Azospira
oryzae) 		3 / 3 THR B 141
PRO B 254
THR B 252
 None
None
SF4  B 403 ( 4.9A)
 0.96A 1dscC-5e7oB:
undetectable		 1dscC-5e7oB:
4.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		 1h2a HYDROGENASE
(Desulfovibrio
vulgaris) 		4 / 8 LEU S  12
ALA S  72
LEU S 176
THR S 113
 None
None
None
SF4  S1001 (-4.7A)
 0.90A 1dvtA-1h2aS:
0.0
1dvtB-1h2aS:
0.0		 1dvtA-1h2aS:
17.42
1dvtB-1h2aS:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DVX_B_DIFB125_1
(TRANSTHYRETIN)		 4uob ENDONUCLEASE III-3
(Deinococcus
radiodurans) 		4 / 7 LEU A 313
ALA A 255
SER A 321
SER A 319
 SF4  A1329 ( 4.8A)
SF4  A1329 ( 4.7A)
None
None
 0.98A 1dvxA-4uobA:
undetectable		 1dvxA-4uobA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 9 HIS S  13
ILE S  78
GLU L  34
SER S  21
GLY S 112
 None
None
None
None
SF4  S2001 ( 3.7A)
 1.50A 1dwcH-4u9iS:
undetectable		 1dwcH-4u9iS:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E3V_A_DXCA801_0
(STEROID
DELTA-ISOMERASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
(Thermus
thermophilus;
Thermus
thermophilus) 		5 / 12 TYR 1 133
PHE 2  66
TYR 2  67
LEU 1 402
ALA 1 187
 None
None
None
SF4  1 439 ( 3.3A)
None
 1.45A 1e3vA-3i9v1:
undetectable		 1e3vA-3i9v1:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E3V_B_DXCB801_0
(STEROID
DELTA-ISOMERASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
(Thermus
thermophilus;
Thermus
thermophilus) 		5 / 11 TYR 1 133
PHE 2  66
TYR 2  67
LEU 1 402
ALA 1 187
 None
None
None
SF4  1 439 ( 3.3A)
None
 1.41A 1e3vB-3i9v1:
0.0		 1e3vB-3i9v1:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7A_A_PFLA4001_1
(SERUM ALBUMIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 9 LEU L  57
LEU L  61
GLY S 119
CYH S 114
ALA S 130
 None
None
None
SF4  S2001 (-2.2A)
None
 1.30A 1e7aA-4u9iL:
undetectable		 1e7aA-4u9iL:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus;
Methanothermococ
cus
thermolithotroph
icus) 		5 / 11 CYH E 177
MET E 252
CYH E 207
VAL A 589
ILE E 191
 SF4  E 304 (-2.4A)
None
SF4  E 304 (-2.2A)
SF4  A 707 ( 4.1A)
None
 1.34A 1ee2A-5odrE:
undetectable		 1ee2A-5odrE:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EE2_B_CHDB1250_1
(ALCOHOL
DEHYDROGENASE)		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus;
Methanothermococ
cus
thermolithotroph
icus) 		5 / 11 CYH E 177
MET E 252
CYH E 207
VAL A 589
ILE E 191
 SF4  E 304 (-2.4A)
None
SF4  E 304 (-2.2A)
SF4  A 707 ( 4.1A)
None
 1.35A 1ee2B-5odrE:
2.3		 1ee2B-5odrE:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_G_CUG2_0
(BETA-CARBONIC
ANHYDRASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		4 / 5 CYH C 103
PRO C 104
SER C 102
CYH C  42
 SF4  C1413 (-2.3A)
None
SF4  C1413 (-4.7A)
SF4  C1413 (-2.3A)
 1.16A 1ekjG-2ynmC:
3.9
1ekjH-2ynmC:
2.5		 1ekjG-2ynmC:
19.04
1ekjH-2ynmC:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EKJ_G_CUG2_0
(BETA-CARBONIC
ANHYDRASE)		 3aeu LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Rhodobacter
capsulatus) 		4 / 5 CYH A 112
PRO A 113
SER A 111
CYH A  51
 SF4  A 425 (-2.4A)
SF4  A 425 (-4.5A)
None
SF4  A 425 (-2.5A)
 1.25A 1ekjG-3aeuA:
4.2
1ekjH-3aeuA:
2.4		 1ekjG-3aeuA:
20.51
1ekjH-3aeuA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERR_A_CCSA381_0
(ESTROGEN RECEPTOR)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
(Escherichia
coli) 		4 / 5 HIS B 148
ALA B 156
SER B 154
HIS B 291
 SF4  B 320 ( 4.8A)
CL  B1319 (-4.0A)
None
None
 1.38A 1errA-5g5gB:
undetectable
1errB-5g5gB:
undetectable		 1errA-5g5gB:
20.36
1errB-5g5gB:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1b0k PROTEIN (ACONITASE)
(Sus
scrofa) 		4 / 8 GLN A  72
GLY A 144
CYH A 421
GLY A 392
 FLC  A 756 (-3.6A)
None
SF4  A 755 (-2.3A)
None
 0.70A 1f5lA-1b0kA:
undetectable		 1f5lA-1b0kA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens) 		4 / 8 GLN A  86
GLY A 175
CYH A 503
GLY A 474
 None
None
SF4  A1000 (-2.2A)
None
 0.69A 1f5lA-2b3xA:
undetectable		 1f5lA-2b3xA:
13.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FBY_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 12 CYH B 154
ALA B 156
ALA B 157
LEU B  93
ALA B  94
 SF4  B 246 (-2.2A)
None
None
None
None
 0.96A 1fbyA-3cirB:
undetectable		 1fbyA-3cirB:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FBY_B_9CRB1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 12 CYH B 154
ALA B 156
ALA B 157
LEU B  93
ALA B  94
 SF4  B 246 (-2.2A)
None
None
None
None
 0.96A 1fbyB-3cirB:
undetectable		 1fbyB-3cirB:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 1ogy PERIPLASMIC NITRATE
REDUCTASE
(Rhodobacter
sphaeroides) 		5 / 12 GLY A  57
LEU A  60
GLY A  42
LEU A 522
VAL A 503
 SF4  A1801 (-3.6A)
None
None
None
None
 1.00A 1fduA-1ogyA:
undetectable		 1fduA-1ogyA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 3o5a PERIPLASMIC NITRATE
REDUCTASE
(Cupriavidus
necator) 		5 / 12 GLY A  57
LEU A  60
GLY A  42
LEU A 522
VAL A 503
 SF4  A1801 (-3.6A)
None
None
None
None
 0.90A 1fduA-3o5aA:
2.2		 1fduA-3o5aA:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FJA_C_DVAC8_0
(ACTINOMYCIN D)		 5e7o DMSO REDUCTASE
FAMILY TYPE II
ENZYME, IRON-SULFUR
SUBUNIT
(Azospira
oryzae) 		3 / 3 THR B 252
THR B 141
PRO B 254
 SF4  B 403 ( 4.9A)
None
None
 0.83A 1fjaC-5e7oB:
undetectable		 1fjaC-5e7oB:
4.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FJA_D_DVAD8_0
(ACTINOMYCIN D)		 5e7o DMSO REDUCTASE
FAMILY TYPE II
ENZYME, IRON-SULFUR
SUBUNIT
(Azospira
oryzae) 		3 / 3 THR B 252
THR B 141
PRO B 254
 SF4  B 403 ( 4.9A)
None
None
 0.83A 1fjaD-5e7oB:
undetectable		 1fjaD-5e7oB:
4.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FM6_U_9CRU502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 5xvd HYDROGENASE-2 SMALL
CHAIN
(Citrobacter
sp.
MGH106) 		5 / 12 ALA S 127
ALA S 129
VAL S  80
ILE S 117
CYH S  25
 None
None
None
None
SF4  S 403 ( 2.1A)
 1.00A 1fm6U-5xvdS:
undetectable		 1fm6U-5xvdS:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FM6_U_9CRU502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 6en9 HYDROGENASE-2 SMALL
CHAIN
(Escherichia
coli) 		5 / 12 ALA S 127
ALA S 129
VAL S  80
ILE S 117
CYH S  25
 None
None
None
None
SF4  S 303 (-2.2A)
 1.00A 1fm6U-6en9S:
undetectable		 1fm6U-6en9S:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G60_A_SAMA500_0
(ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		5 / 12 ASN A  32
CYH A  31
ASP A  52
PHE A  53
GLY A  55
 None
SF4  A 301 (-2.3A)
None
SF4  A 301 ( 4.6A)
None
 1.38A 1g60A-4njiA:
2.2		 1g60A-4njiA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G60_B_SAMB501_0
(ADENINE-SPECIFIC
METHYLTRANSFERASE
MBOIIA)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		5 / 12 ASN A  32
CYH A  31
ASP A  52
PHE A  53
GLY A  55
 None
SF4  A 301 (-2.3A)
None
SF4  A 301 ( 4.6A)
None
 1.38A 1g60B-4njiA:
undetectable		 1g60B-4njiA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GMK_C_DVAC8_0
(GRAMICIDIN A)		 2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN
(Deinococcus
radiodurans) 		3 / 4 VAL A 454
TRP A 340
TRP A 346
 None
None
SF4  A 650 (-4.6A)
 1.43A 1gmkC-2jh3A:
undetectable
1gmkD-2jh3A:
undetectable		 1gmkC-2jh3A:
7.37
1gmkD-2jh3A:
7.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GMK_D_DVAD8_0
(GRAMICIDIN A)		 3ze6 PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		3 / 3 TRP A 258
VAL A 256
TRP A 252
 None
None
SF4  A 285 (-4.0A)
 0.94A 1gmkC-3ze6A:
undetectable
1gmkD-3ze6A:
undetectable		 1gmkC-3ze6A:
4.92
1gmkD-3ze6A:
4.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GMK_D_DVAD8_0
(GRAMICIDIN A)		 5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		3 / 3 TRP A 258
VAL A 256
TRP A 252
 None
None
SF4  A 302 (-3.9A)
 0.93A 1gmkC-5jsyA:
undetectable
1gmkD-5jsyA:
undetectable		 1gmkC-5jsyA:
4.30
1gmkD-5jsyA:
4.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSF_C_EAAC223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
(Thermus
thermophilus) 		4 / 8 PHE 3 202
GLY 3 212
ARG 7  88
VAL 3 164
 SF4  3 785 ( 4.8A)
None
None
None
 0.99A 1gsfC-3i9v3:
undetectable		 1gsfC-3i9v3:
14.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_A_TRPA81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 7 GLY A 194
THR A 356
ILE A 197
SER A 137
 SF4  A 582 (-3.9A)
None
None
None
 0.80A 1gtnA-1fehA:
undetectable
1gtnK-1fehA:
undetectable		 1gtnA-1fehA:
9.41
1gtnK-1fehA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_A_TRPA81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 7 GLY B 205
THR B 156
ILE B 281
THR B 145
 None
None
None
SF4  B 803 (-3.9A)
 0.72A 1gtnA-3or2B:
undetectable
1gtnK-3or2B:
undetectable		 1gtnA-3or2B:
11.35
1gtnK-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_B_TRPB81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 8 SER A 137
GLY A 194
THR A 356
ILE A 197
 None
SF4  A 582 (-3.9A)
None
None
 0.81A 1gtnA-1fehA:
undetectable
1gtnB-1fehA:
0.0		 1gtnA-1fehA:
9.41
1gtnB-1fehA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_B_TRPB81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 8 THR B 145
GLY B 205
THR B 156
ILE B 281
 SF4  B 803 (-3.9A)
None
None
None
 0.76A 1gtnA-3or2B:
undetectable
1gtnB-3or2B:
undetectable		 1gtnA-3or2B:
11.35
1gtnB-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_D_TRPD81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 7 SER A 137
GLY A 194
THR A 356
ILE A 197
 None
SF4  A 582 (-3.9A)
None
None
 0.81A 1gtnC-1fehA:
undetectable
1gtnD-1fehA:
undetectable		 1gtnC-1fehA:
9.41
1gtnD-1fehA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_D_TRPD81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 7 THR B 145
GLY B 205
THR B 156
ILE B 281
 SF4  B 803 (-3.9A)
None
None
None
 0.79A 1gtnC-3or2B:
undetectable
1gtnD-3or2B:
undetectable		 1gtnC-3or2B:
11.35
1gtnD-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 6 SER A 137
GLY A 194
THR A 356
ILE A 197
 None
SF4  A 582 (-3.9A)
None
None
 0.80A 1gtnD-1fehA:
undetectable
1gtnE-1fehA:
undetectable		 1gtnD-1fehA:
9.41
1gtnE-1fehA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 6 THR B 145
GLY B 205
THR B 156
ILE B 281
 SF4  B 803 (-3.9A)
None
None
None
 0.78A 1gtnD-3or2B:
undetectable
1gtnE-3or2B:
undetectable		 1gtnD-3or2B:
11.35
1gtnE-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_F_TRPF81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 8 SER A 137
GLY A 194
THR A 356
ILE A 197
 None
SF4  A 582 (-3.9A)
None
None
 0.80A 1gtnE-1fehA:
undetectable
1gtnF-1fehA:
undetectable		 1gtnE-1fehA:
9.41
1gtnF-1fehA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_F_TRPF81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 8 THR B 145
GLY B 205
THR B 156
ILE B 281
 SF4  B 803 (-3.9A)
None
None
None
 0.74A 1gtnE-3or2B:
undetectable
1gtnF-3or2B:
undetectable		 1gtnE-3or2B:
11.35
1gtnF-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_G_TRPG81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 7 SER A 137
GLY A 194
THR A 356
ILE A 197
 None
SF4  A 582 (-3.9A)
None
None
 0.77A 1gtnF-1fehA:
undetectable
1gtnG-1fehA:
undetectable		 1gtnF-1fehA:
9.41
1gtnG-1fehA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_G_TRPG81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 7 THR B 145
GLY B 205
THR B 156
ILE B 281
 SF4  B 803 (-3.9A)
None
None
None
 0.73A 1gtnF-3or2B:
undetectable
1gtnG-3or2B:
undetectable		 1gtnF-3or2B:
11.35
1gtnG-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 7 SER A 137
GLY A 194
THR A 356
ILE A 197
 None
SF4  A 582 (-3.9A)
None
None
 0.77A 1gtnJ-1fehA:
undetectable
1gtnK-1fehA:
undetectable		 1gtnJ-1fehA:
9.41
1gtnK-1fehA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_K_TRPK81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 7 THR B 145
GLY B 205
THR B 156
ILE B 281
 SF4  B 803 (-3.9A)
None
None
None
 0.76A 1gtnJ-3or2B:
undetectable
1gtnK-3or2B:
undetectable		 1gtnJ-3or2B:
11.35
1gtnK-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_P_TRPP81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 8 GLY A 194
THR A 356
ILE A 197
SER A 137
 SF4  A 582 (-3.9A)
None
None
None
 0.67A 1gtnP-1fehA:
undetectable
1gtnQ-1fehA:
0.0		 1gtnP-1fehA:
9.41
1gtnQ-1fehA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_P_TRPP81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 8 GLY B 205
THR B 156
ILE B 281
THR B 145
 None
None
None
SF4  B 803 (-3.9A)
 0.72A 1gtnP-3or2B:
undetectable
1gtnQ-3or2B:
undetectable		 1gtnP-3or2B:
11.35
1gtnQ-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSG_B_MK1B902_1
(HIV-1 PROTEASE)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 10 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 0.99A 1hsgA-5t5iG:
undetectable		 1hsgA-5t5iG:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli;
Escherichia
coli) 		5 / 12 ARG C 647
LEU C 648
TYR C 650
GLY B 143
ALA B 140
 None
None
None
None
SF4  B 320 ( 4.0A)
 1.16A 1httC-5g5gC:
undetectable		 1httC-5g5gC:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT
(Escherichia
coli;
Escherichia
coli) 		5 / 12 ARG C 647
LEU C 648
TYR C 650
GLY B 143
ALA B 140
 None
None
None
None
SF4  B 320 ( 4.0A)
 1.21A 1httD-5g5gC:
undetectable		 1httD-5g5gC:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.96A 1hxbB-2ynmA:
undetectable		 1hxbB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 12 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.02A 1hxbB-5t5iG:
undetectable		 1hxbB-5t5iG:
23.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		 1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE
(Bacillus
subtilis) 		4 / 8 TYR A 384
LEU A 438
LEU A 177
SER A 234
 SF4  A 466 ( 4.9A)
None
None
None
 1.05A 1i7zA-1ao0A:
undetectable		 1i7zA-1ao0A:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zk6 QUINOLINATE SYNTHASE
A
(Pyrococcus
horikoshii) 		5 / 12 HIS A 173
GLU A 198
HIS A 196
HIS A  21
TYR A  23
 NTM  A 402 (-4.6A)
NTM  A 402 (-3.2A)
NTM  A 402 ( 3.7A)
NTM  A 402 ( 3.9A)
SF4  A 401 (-4.8A)
 1.44A 1j36A-4zk6A:
undetectable		 1j36A-4zk6A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zk6 QUINOLINATE SYNTHASE
A
(Pyrococcus
horikoshii) 		5 / 12 HIS A 173
GLU A 198
HIS A 196
HIS A  21
TYR A  23
 NTM  A 402 (-4.6A)
NTM  A 402 (-3.2A)
NTM  A 402 ( 3.7A)
NTM  A 402 ( 3.9A)
SF4  A 401 (-4.8A)
 1.44A 1j36B-4zk6A:
undetectable		 1j36B-4zk6A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J7K_A_ACTA701_0
(HOLLIDAY JUNCTION
DNA HELICASE RUVB)		 3a05 TRYPTOPHANYL-TRNA
SYNTHETASE
(Aeropyrum
pernix) 		4 / 4 GLY A 297
LEU A 296
GLY A 298
ARG A 287
 None
None
SF4  A 373 ( 4.3A)
None
 0.92A 1j7kA-3a05A:
undetectable		 1j7kA-3a05A:
26.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus) 		4 / 8 GLY E 217
THR E 220
GLY E 249
GLN E 248
 SF4  E 304 ( 3.8A)
SF4  E 303 (-4.4A)
None
None
 0.87A 1jr1B-5odrE:
undetectable		 1jr1B-5odrE:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		5 / 11 PHE A 328
ILE A 397
GLY A 301
PHE A 392
ALA A   7
 None
None
None
SF4  A 501 ( 4.9A)
None
 1.26A 1ju6A-4ur2A:
undetectable		 1ju6A-4ur2A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K5Q_B_PACB559_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 5l2r FUMARATE HYDRATASE
(Leishmania
major) 		4 / 7 SER A 132
PRO A 131
ALA A 517
ALA A 348
 None
None
None
SF4  A 608 (-3.5A)
 1.01A 1k5qA-5l2rA:
undetectable
1k5qB-5l2rA:
undetectable		 1k5qA-5l2rA:
14.61
1k5qB-5l2rA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KF6_B_ACTB704_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		3 / 3 ARG S 112
GLY L  37
ASP L  39
 None
SF4  L 422 (-3.5A)
None
 0.54A 1kf6A-1hfeS:
undetectable
1kf6B-1hfeS:
undetectable		 1kf6A-1hfeS:
11.64
1kf6B-1hfeS:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 3ze6 PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 SER A 223
PHE A 226
TYR A 234
GLY A 237
LEU A 214
 None
None
None
None
SF4  A 284 (-4.6A)
 1.21A 1kglA-3ze6A:
undetectable		 1kglA-3ze6A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		 5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 12 SER A 223
PHE A 226
TYR A 234
GLY A 237
LEU A 214
 None
None
None
None
SF4  A 301 (-4.7A)
 1.19A 1kglA-5jsyA:
undetectable		 1kglA-5jsyA:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
gigas) 		5 / 12 ILE A  72
GLY A 116
VAL A 131
ALA A 121
GLY A 110
 None
H2S  A1268 ( 4.4A)
None
None
SF4  A 267 ( 3.7A)
 1.17A 1kiaB-1yq9A:
undetectable		 1kiaB-1yq9A:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 4fwi ABC-TYPE
DIPEPTIDE/OLIGOPEPTI
DE/NICKEL TRANSPORT
SYSTEM, ATPASE
COMPONENT
(Caldanaerobacter
subterraneus) 		5 / 12 ALA B  23
GLY B  46
ALA B 226
ILE B 242
HIS B 248
 ATP  B 402 ( 4.0A)
ATP  B 402 (-3.0A)
None
None
SF4  B 401 (-3.7A)
 1.24A 1kxhA-4fwiB:
undetectable		 1kxhA-4fwiB:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_A_RBFA501_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 GLY A 373
GLU A 375
HIS A  34
ILE A 328
ILE A  52
 None
None
None
SF4  A 801 ( 3.6A)
None
 0.97A 1kyvA-3k30A:
3.9
1kyvE-3k30A:
7.6		 1kyvA-3k30A:
13.48
1kyvE-3k30A:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_C_RBFC503_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 ILE A  52
GLY A 373
GLU A 375
HIS A  34
ILE A 328
 None
None
None
None
SF4  A 801 ( 3.6A)
 0.98A 1kyvB-3k30A:
3.9
1kyvC-3k30A:
undetectable		 1kyvB-3k30A:
13.48
1kyvC-3k30A:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_D_RBFD504_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 ILE A  52
GLY A 373
GLU A 375
HIS A  34
ILE A 328
 None
None
None
None
SF4  A 801 ( 3.6A)
 0.97A 1kyvC-3k30A:
undetectable
1kyvD-3k30A:
5.6		 1kyvC-3k30A:
13.48
1kyvD-3k30A:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_E_RBFE505_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		5 / 12 ILE A  52
GLY A 373
GLU A 375
HIS A  34
ILE A 328
 None
None
None
None
SF4  A 801 ( 3.6A)
 0.97A 1kyvD-3k30A:
5.6
1kyvE-3k30A:
7.6		 1kyvD-3k30A:
13.48
1kyvE-3k30A:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 ARG B 217
ARG B 235
ARG A 105
 None
SF4  B1358 (-4.3A)
None
 0.94A 1l7fA-2ivfB:
undetectable		 1l7fA-2ivfB:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 ARG B 217
ARG B 235
ARG A 105
 None
SF4  B1358 (-4.3A)
None
 0.96A 1l7hA-2ivfB:
undetectable		 1l7hA-2ivfB:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LII_A_ADNA699_2
(ADENOSINE KINASE)		 6g72 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
8, MITOCHONDRIAL
(Mus
musculus) 		4 / 4 SER B 128
LEU I 149
TYR I 120
GLY B 132
 SF4  B 201 (-2.8A)
None
None
None
 1.33A 1liiA-6g72B:
undetectable		 1liiA-6g72B:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJ2_A_SAMA2200_0
(PROTEIN (METHIONINE
REPRESSOR))		 1l9g CONSERVED
HYPOTHETICAL PROTEIN
(Thermotoga
maritima) 		5 / 12 HIS A 107
ALA A 104
GLY A 106
GLU A 100
PRO A  22
 None
SF4  A 201 ( 4.2A)
None
None
None
 0.88A 1mj2A-1l9gA:
undetectable
1mj2B-1l9gA:
undetectable		 1mj2A-1l9gA:
17.59
1mj2B-1l9gA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJ2_C_SAMC2199_0
(PROTEIN (METHIONINE
REPRESSOR))		 1l9g CONSERVED
HYPOTHETICAL PROTEIN
(Thermotoga
maritima) 		5 / 12 HIS A 107
ALA A 104
GLY A 106
GLU A 100
PRO A  22
 None
SF4  A 201 ( 4.2A)
None
None
None
 0.90A 1mj2C-1l9gA:
undetectable
1mj2D-1l9gA:
undetectable		 1mj2C-1l9gA:
17.59
1mj2D-1l9gA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJL_B_SAMB400_0
(METHIONINE REPRESSOR
PROTEIN METJ)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9
(Thermus
thermophilus) 		5 / 9 ARG 9 167
GLU 9 105
HIS 9  41
LEU 9 115
PHE 9 173
 None
None
SF4  9 183 (-4.5A)
None
None
 1.48A 1mjlA-3i9v9:
undetectable
1mjlB-3i9v9:
undetectable		 1mjlA-3i9v9:
20.32
1mjlB-3i9v9:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_C_SAMC200_0
(METHIONINE REPRESSOR)		 1l9g CONSERVED
HYPOTHETICAL PROTEIN
(Thermotoga
maritima) 		5 / 12 HIS A 107
ALA A 104
GLY A 106
GLU A 100
PRO A  22
 None
SF4  A 201 ( 4.2A)
None
None
None
 0.87A 1mjoC-1l9gA:
undetectable
1mjoD-1l9gA:
undetectable		 1mjoC-1l9gA:
17.59
1mjoD-1l9gA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_A_SAMA200_0
(METHIONINE REPRESSOR)		 1l9g CONSERVED
HYPOTHETICAL PROTEIN
(Thermotoga
maritima) 		5 / 11 GLU A 100
PRO A  22
HIS A 107
ALA A 104
GLY A 106
 None
None
None
SF4  A 201 ( 4.2A)
None
 0.88A 1mjqA-1l9gA:
undetectable
1mjqB-1l9gA:
undetectable		 1mjqA-1l9gA:
17.59
1mjqB-1l9gA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_D_SAMD200_0
(METHIONINE REPRESSOR)		 1l9g CONSERVED
HYPOTHETICAL PROTEIN
(Thermotoga
maritima) 		5 / 12 HIS A 107
ALA A 104
GLY A 106
GLU A 100
PRO A  22
 None
SF4  A 201 ( 4.2A)
None
None
None
 0.91A 1mjqC-1l9gA:
undetectable
1mjqD-1l9gA:
undetectable		 1mjqC-1l9gA:
17.59
1mjqD-1l9gA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_D_SAMD200_0
(METHIONINE REPRESSOR)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		5 / 12 ALA C  96
GLY C  99
GLU C  67
ALA C  91
PRO C 161
 None
None
SF4  C 201 ( 3.6A)
None
None
 1.13A 1mjqC-5xfaC:
undetectable
1mjqD-5xfaC:
undetectable		 1mjqC-5xfaC:
21.08
1mjqD-5xfaC:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_G_SAMG199_0
(METHIONINE REPRESSOR)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		5 / 10 GLU C  67
ALA C  91
PRO C 161
ALA C  96
GLY C  99
 SF4  C 201 ( 3.6A)
None
None
None
None
 1.13A 1mjqG-5xfaC:
undetectable
1mjqH-5xfaC:
undetectable		 1mjqG-5xfaC:
21.08
1mjqH-5xfaC:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_I_SAMI199_0
(METHIONINE REPRESSOR)		 1l9g CONSERVED
HYPOTHETICAL PROTEIN
(Thermotoga
maritima) 		5 / 11 GLU A 100
PRO A  22
HIS A 107
ALA A 104
GLY A 106
 None
None
None
SF4  A 201 ( 4.2A)
None
 0.87A 1mjqI-1l9gA:
undetectable
1mjqJ-1l9gA:
undetectable		 1mjqI-1l9gA:
17.59
1mjqJ-1l9gA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_J_SAMJ200_0
(METHIONINE REPRESSOR)		 1l9g CONSERVED
HYPOTHETICAL PROTEIN
(Thermotoga
maritima) 		5 / 12 HIS A 107
ALA A 104
GLY A 106
GLU A 100
PRO A  22
 None
SF4  A 201 ( 4.2A)
None
None
None
 0.92A 1mjqI-1l9gA:
undetectable
1mjqJ-1l9gA:
undetectable		 1mjqI-1l9gA:
17.59
1mjqJ-1l9gA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_J_SAMJ200_0
(METHIONINE REPRESSOR)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		5 / 12 ALA C  96
GLY C  99
GLU C  67
ALA C  91
PRO C 161
 None
None
SF4  C 201 ( 3.6A)
None
None
 1.12A 1mjqI-5xfaC:
undetectable
1mjqJ-5xfaC:
undetectable		 1mjqI-5xfaC:
21.08
1mjqJ-5xfaC:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 3ze6 PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 9 GLY A 267
PRO A 157
GLY A 158
GLY A 126
GLY A 125
 SF4  A 285 ( 4.6A)
None
None
None
None
 0.99A 1mxdA-3ze6A:
undetectable		 1mxdA-3ze6A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT
(Desulfomicrobium
baculatum) 		5 / 9 GLY S 266
PRO S 162
GLY S 163
GLY S 131
GLY S 130
 SF4  S 302 ( 4.5A)
None
None
None
None
 0.99A 1mxdA-4ko2S:
undetectable		 1mxdA-4ko2S:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
(Cupriavidus
necator) 		5 / 9 GLY A 287
PRO A 184
GLY A 185
GLY A 150
GLY A 149
 SF4  A 502 ( 4.1A)
None
None
None
None
 1.05A 1mxdA-5aa5A:
undetectable		 1mxdA-5aa5A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXD_A_ACRA732_1
(ALPHA AMYLASE)		 5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 9 GLY A 267
PRO A 157
GLY A 158
GLY A 126
GLY A 125
 SF4  A 302 ( 4.6A)
None
None
None
None
 0.99A 1mxdA-5jsyA:
undetectable		 1mxdA-5jsyA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)		 3ze6 PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 11 GLY A 267
PRO A 157
GLY A 158
GLY A 126
GLY A 125
 SF4  A 285 ( 4.6A)
None
None
None
None
 1.02A 1mxgA-3ze6A:
undetectable		 1mxgA-3ze6A:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)		 4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT
(Desulfomicrobium
baculatum) 		5 / 11 GLY S 266
PRO S 162
GLY S 163
GLY S 131
GLY S 130
 SF4  S 302 ( 4.5A)
None
None
None
None
 1.02A 1mxgA-4ko2S:
undetectable		 1mxgA-4ko2S:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)		 5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 11 GLY A 267
PRO A 157
GLY A 158
GLY A 126
GLY A 125
 SF4  A 302 ( 4.6A)
None
None
None
None
 1.03A 1mxgA-5jsyA:
undetectable		 1mxgA-5jsyA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_A_VDYA1002_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 3g0q A/G-SPECIFIC ADENINE
GLYCOSYLASE
(Geobacillus
stearothermophil
us) 		4 / 5 LEU A  17
VAL A 210
CYH A 214
ALA A 216
 None
None
SF4  A 400 (-2.4A)
SF4  A 400 ( 4.7A)
 1.01A 1mz9D-3g0qA:
undetectable		 1mz9D-3g0qA:
8.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_A_VDYA1002_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 3n5n A/G-SPECIFIC ADENINE
DNA GLYCOSYLASE
(Homo
sapiens) 		4 / 5 LEU X  86
VAL X 288
CYH X 292
ALA X 294
 None
None
SF4  X 400 (-2.2A)
SF4  X 400 ( 4.9A)
 1.06A 1mz9D-3n5nX:
undetectable		 1mz9D-3n5nX:
11.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_A_VDYA1002_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 5kn8 ADENINE DNA
GLYCOSYLASE
(Geobacillus
stearothermophil
us) 		4 / 5 LEU A  17
VAL A 210
CYH A 214
ALA A 216
 None
None
SF4  A 301 (-2.3A)
SF4  A 301 ( 4.8A)
 1.00A 1mz9D-5kn8A:
undetectable		 1mz9D-5kn8A:
12.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		 4uob ENDONUCLEASE III-3
(Deinococcus
radiodurans) 		5 / 12 LEU A 104
LEU A 289
SER A 292
ALA A 256
ALA A 255
 None
None
None
None
SF4  A1329 ( 4.7A)
 1.19A 1n5xA-4uobA:
2.6		 1n5xA-4uobA:
12.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		 4uob ENDONUCLEASE III-3
(Deinococcus
radiodurans) 		5 / 12 LEU A 104
LEU A 289
SER A 292
ALA A 256
ALA A 255
 None
None
None
None
SF4  A1329 ( 4.7A)
 1.19A 1n5xB-4uobA:
2.6		 1n5xB-4uobA:
12.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N6C_A_SAMA402_0
(SET
DOMAIN-CONTAINING
PROTEIN 7)		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A
(Methanothermococ
cus
thermolithotroph
icus) 		5 / 11 ILE A 241
GLU A 295
LYS A 290
TYR A 217
GLU A 243
 SF4  A 703 ( 4.6A)
None
None
None
None
 1.42A 1n6cA-5odrA:
undetectable		 1n6cA-5odrA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NW5_A_SAMA401_0
(MODIFICATION
METHYLASE RSRI)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus) 		5 / 12 PHE E  82
GLY E 148
SER E 239
ALA E  86
ALA E  87
 None
None
SF4  E 303 (-3.4A)
None
ACT  E 301 (-4.3A)
 1.23A 1nw5A-5odrE:
undetectable		 1nw5A-5odrE:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zk6 QUINOLINATE SYNTHASE
A
(Pyrococcus
horikoshii) 		5 / 12 HIS A 173
GLU A 198
HIS A 196
HIS A  21
TYR A  23
 NTM  A 402 (-4.6A)
NTM  A 402 (-3.2A)
NTM  A 402 ( 3.7A)
NTM  A 402 ( 3.9A)
SF4  A 401 (-4.8A)
 1.39A 1o86A-4zk6A:
undetectable		 1o86A-4zk6A:
19.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OAF_A_ASCA1253_0
(ASCORBATE PEROXIDASE)		 2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B
(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		4 / 6 CYH B 747
PRO B 744
HIS A 566
ARG A 570
 SF4  B1100 (-2.4A)
None
None
None
 1.44A 1oafA-2fjaB:
0.0		 1oafA-2fjaB:
23.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OLT_A_SAMA501_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		 1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE
(Escherichia
coli) 		5 / 12 CYH A  69
THR A 114
ASP A 147
GLY A 170
ASP A 209
 SF4  A 500 ( 2.3A)
SAM  A 501 ( 3.5A)
SF4  A 500 (-4.2A)
SAM  A 501 (-3.3A)
SAM  A 501 (-3.7A)
 1.12A 1oltA-1oltA:
68.1		 1oltA-1oltA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1OLT_A_SAMA501_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		 1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE
(Escherichia
coli) 		12 / 12 CYH A  71
THR A 114
GLU A 145
ASP A 147
GLY A 170
ARG A 184
ASP A 209
ILE A 211
PHE A 240
TYR A 242
ALA A 243
GLN A 252
 SAM  A 501 (-3.6A)
SAM  A 501 ( 3.5A)
SAM  A 502 ( 2.8A)
SF4  A 500 (-4.2A)
SAM  A 501 (-3.3A)
SAM  A 501 ( 2.9A)
SAM  A 501 (-3.7A)
SAM  A 501 (-4.3A)
SAM  A 502 ( 3.6A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.9A)
SAM  A 501 (-4.6A)
 0.17A 1oltA-1oltA:
68.1		 1oltA-1oltA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OLT_A_SAMA501_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9
(Thermus
thermophilus) 		5 / 12 CYH 9  98
ASP 9 118
GLY 9 116
ILE 9 113
ALA 9  60
 SF4  9 183 (-2.2A)
None
None
SF4  9 184 (-4.0A)
None
 1.19A 1oltA-3i9v9:
undetectable		 1oltA-3i9v9:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4crm TRANSLATION
INITIATION FACTOR
RLI1
(Saccharomyces
cerevisiae) 		4 / 6 ASN P   5
ASN P  74
ILE P  56
GLY P  57
 None
None
None
SF4  P1610 ( 4.9A)
 0.95A 1oniA-4crmP:
undetectable
1oniB-4crmP:
undetectable		 1oniA-4crmP:
14.11
1oniB-4crmP:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4crm TRANSLATION
INITIATION FACTOR
RLI1
(Saccharomyces
cerevisiae) 		4 / 6 ASN P   5
ASN P  74
ILE P  56
GLY P  57
 None
None
None
SF4  P1610 ( 4.9A)
 0.95A 1oniD-4crmP:
undetectable
1oniF-4crmP:
undetectable		 1oniD-4crmP:
14.11
1oniF-4crmP:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_I_BEZI518_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3o3m BETA SUBUNIT
2-HYDROXYACYL-COA
DEHYDRATASE
(Clostridioides
difficile) 		4 / 7 ILE B 237
GLY B 236
PRO B 327
ARG B 301
 SF4  B 386 ( 4.3A)
None
SF4  B 386 ( 4.5A)
None
 0.97A 1oniG-3o3mB:
undetectable
1oniI-3o3mB:
undetectable		 1oniG-3o3mB:
18.72
1oniI-3o3mB:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P91_A_SAMA1401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 11 LEU L   4
GLY L 114
GLY L 117
ILE L 120
PRO L  63
 None
None
None
SF4  L 502 ( 4.2A)
SF4  L 502 ( 4.4A)
 1.13A 1p91A-5jfcL:
undetectable		 1p91A-5jfcL:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QFI_B_DVAB8_0
(ACTINOMYCIN X2)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 THR B 155
THR B 266
PRO B 157
 None
SF4  B1357 ( 4.6A)
SF4  B1357 ( 4.8A)
 0.86A 1qfiB-2ivfB:
undetectable		 1qfiB-2ivfB:
4.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QFI_B_DVAB8_0
(ACTINOMYCIN X2)		 5e7o DMSO REDUCTASE
FAMILY TYPE II
ENZYME, IRON-SULFUR
SUBUNIT
(Azospira
oryzae) 		3 / 3 THR B 141
THR B 252
PRO B 143
 None
SF4  B 403 ( 4.9A)
SF4  B 403 ( 4.8A)
 0.84A 1qfiB-5e7oB:
undetectable		 1qfiB-5e7oB:
4.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QOM_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 429
ILE A 349
TRP A 442
 None
SF4  A 801 (-4.1A)
None
 1.19A 1qomA-3k30A:
undetectable		 1qomA-3k30A:
21.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1R30_A_SAMA501_0
(BIOTIN SYNTHASE)		 1r30 BIOTIN SYNTHASE
(Escherichia
coli) 		6 / 12 TYR A  59
PRO A  61
ARG A 168
LEU A 224
VAL A 225
LEU A 291
 SAM  A 501 (-4.4A)
SAM  A 501 (-4.5A)
SF4  A 401 ( 4.4A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.4A)
DTB  A 502 ( 3.3A)
 1.18A 1r30A-1r30A:
58.6		 1r30A-1r30A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R30_A_SAMA501_0
(BIOTIN SYNTHASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
(Thermus
thermophilus) 		5 / 12 GLY 3 294
ASN 3 225
ILE 3 226
LEU 3 200
VAL 3 199
 SF4  3 786 (-3.4A)
None
None
None
None
 1.08A 1r30A-3i9v3:
undetectable		 1r30A-3i9v3:
19.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1R30_B_SAMB501_0
(BIOTIN SYNTHASE)		 1r30 BIOTIN SYNTHASE
(Escherichia
coli) 		6 / 12 TYR A  59
PRO A  61
ARG A 168
LEU A 224
VAL A 225
LEU A 291
 SAM  A 501 (-4.4A)
SAM  A 501 (-4.5A)
SF4  A 401 ( 4.4A)
SAM  A 501 (-4.7A)
SAM  A 501 (-3.4A)
DTB  A 502 ( 3.3A)
 1.18A 1r30B-1r30A:
57.5		 1r30B-1r30A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R30_B_SAMB501_0
(BIOTIN SYNTHASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
(Thermus
thermophilus) 		5 / 12 GLY 3 294
ASN 3 225
ILE 3 226
LEU 3 200
VAL 3 199
 SF4  3 786 (-3.4A)
None
None
None
None
 1.08A 1r30B-3i9v3:
undetectable		 1r30B-3i9v3:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RK3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 5xmj FUMARATE REDUCTASE
RESPIRATORY COMPLEX
SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT
(Desulfovibrio
gigas) 		5 / 12 LEU B 224
CYH B 151
VAL B 217
HIS C 106
LEU C 104
 SF4  B 302 (-4.7A)
SF4  B 302 (-2.2A)
None
None
None
 1.22A 1rk3A-5xmjB:
undetectable		 1rk3A-5xmjB:
13.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RMT_D_ADND1504_1
(CLASS B ACID
PHOSPHATASE)		 2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE
(Sus
scrofa) 		4 / 8 ASP A 563
TYR A 296
ASP A 461
THR A 558
 None
None
None
SF4  A 610 ( 4.5A)
 1.07A 1rmtD-2gmhA:
undetectable		 1rmtD-2gmhA:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS7_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA
(Archaeoglobus
fulgidus) 		4 / 6 GLY B 136
ILE B 138
GLN B 135
SER B 148
 SF4  B 585 ( 4.9A)
None
SRM  A 580 (-3.5A)
None
 1.02A 1rs7B-3mm5B:
undetectable		 1rs7B-3mm5B:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A
(Thermotoga
maritima) 		5 / 12 ASP B 158
MET B 445
ASP B 433
ILE B 442
THR B 154
 None
None
FAD  B 503 (-2.8A)
SF4  B 502 ( 4.2A)
None
 1.30A 1s14A-4yryB:
undetectable		 1s14A-4yryB:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S14_A_NOVA1300_1
(TOPOISOMERASE IV
SUBUNIT B)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 12 ASP A 172
MET A 457
ASP A 445
ILE A 454
THR A 168
 None
None
FAD  A 503 (-2.0A)
SF4  A 501 ( 4.3A)
None
 1.35A 1s14A-5vj7A:
undetectable		 1s14A-5vj7A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 10 ILE L 122
GLY L 123
GLY L  98
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.2A)
SF4  L 501 ( 4.5A)
None
SF4  L 501 ( 4.4A)
 0.84A 1sdtA-5jfcL:
undetectable		 1sdtA-5jfcL:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 10 ILE L 122
GLY L 123
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.2A)
None
None
SF4  L 501 ( 4.4A)
 0.98A 1sdtA-5jfcL:
undetectable		 1sdtA-5jfcL:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 10 ILE A 122
GLY A 123
GLY A  98
VAL A  58
ILE A  60
 SF4  A 501 ( 4.7A)
SF4  A 501 ( 4.3A)
SF4  A 501 ( 4.4A)
None
SF4  A 501 ( 4.6A)
 0.85A 1sdtA-5vj7A:
undetectable		 1sdtA-5vj7A:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.97A 1sduA-2ynmA:
undetectable		 1sduA-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDU_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 11 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.01A 1sduA-5t5iG:
undetectable		 1sduA-5t5iG:
25.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		5 / 12 ILE A 180
GLY A 586
VAL A  22
SER A  21
ASN A 177
 None
None
SF4  A1010 ( 4.3A)
None
None
 1.10A 1sg9A-1h0hA:
undetectable		 1sg9A-1h0hA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		5 / 12 ILE A 180
GLY A 586
VAL A  22
SER A  21
ASN A 177
 None
None
SF4  A1010 ( 4.3A)
None
None
 1.09A 1sg9C-1h0hA:
undetectable		 1sg9C-1h0hA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SH9_B_RITB301_2
(POL POLYPROTEIN)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
(Methanothermobac
ter
sp.
CaT2) 		5 / 10 ARG B 288
ASP B  18
ILE B  19
GLY B  38
ILE B  37
 None
None
None
SF4  B 501 ( 4.0A)
SF4  B 501 (-4.5A)
 1.05A 1sh9B-5t5iB:
undetectable		 1sh9B-5t5iB:
12.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN0_B_T44B602_1
(TRANSTHYRETIN)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		4 / 7 LEU A 333
GLU A 347
ALA A 329
ALA A 323
 None
None
SF4  A 801 ( 4.2A)
FMN  A 802 (-3.8A)
 0.84A 1sn0B-3k30A:
undetectable
1sn0D-3k30A:
undetectable		 1sn0B-3k30A:
10.83
1sn0D-3k30A:
10.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SV9_A_DIFA701_1
(PHOSPHOLIPASE A2)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
(Desulfovibrio
vulgaris) 		4 / 8 ALA L 236
ILE L 235
CYH L 382
GLY L 385
 SF4  L 424 ( 4.0A)
None
SF4  L 424 (-2.3A)
SF4  L 424 ( 3.5A)
 0.85A 1sv9A-1hfeL:
undetectable		 1sv9A-1hfeL:
13.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T3R_A_017A1200_2
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.84A 1t3rB-2ynmA:
undetectable		 1t3rB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		4 / 7 VAL B  36
TYR B 229
ARG A  38
CYH B 244
 None
SF4  B 804 (-4.5A)
None
SF4  B 803 (-2.2A)
 1.26A 1t46A-3egwB:
undetectable		 1t46A-3egwB:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 5l2r FUMARATE HYDRATASE
(Leishmania
major) 		3 / 3 SER A 217
GLY A 216
ARG A 350
 SF4  A 608 ( 4.5A)
LMR  A 601 (-3.1A)
SF4  A 608 ( 4.5A)
 0.66A 1t9wA-5l2rA:
undetectable		 1t9wA-5l2rA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		 2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B
(Archaeoglobus
fulgidus) 		4 / 7 GLU A 573
HIS A 566
LEU B 729
ILE A 237
 None
None
SF4  B1100 ( 4.3A)
None
 1.16A 1tuvA-2fjaA:
undetectable		 1tuvA-2fjaA:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1USQ_B_CLMB1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3ze6 PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 6 PRO A 160
GLY A 158
PRO A 157
ILE A 156
GLY A 119
 SF4  A 286 (-3.7A)
None
None
None
SF4  A 286 (-3.6A)
 1.50A 1usqB-3ze6A:
undetectable		 1usqB-3ze6A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1USQ_B_CLMB1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 6 PRO A 160
GLY A 158
PRO A 157
ILE A 156
GLY A 119
 SF4  A 303 ( 4.0A)
None
None
None
SF4  A 303 (-3.6A)
 1.47A 1usqB-5jsyA:
undetectable		 1usqB-5jsyA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_B_TRPB81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 8 GLY B 205
THR B 156
ILE B 281
THR B 145
 None
None
None
SF4  B 803 (-3.9A)
 0.78A 1utdB-3or2B:
undetectable
1utdC-3or2B:
undetectable		 1utdB-3or2B:
11.35
1utdC-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_F_TRPF81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 8 GLY B 205
THR B 156
ILE B 281
THR B 145
 None
None
None
SF4  B 803 (-3.9A)
 0.74A 1utdF-3or2B:
undetectable
1utdG-3or2B:
undetectable		 1utdF-3or2B:
11.35
1utdG-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_I_TRPI81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 8 GLY A 194
THR A 356
ILE A 197
SER A 137
 SF4  A 582 (-3.9A)
None
None
None
 0.79A 1utdI-1fehA:
undetectable
1utdJ-1fehA:
undetectable		 1utdI-1fehA:
9.41
1utdJ-1fehA:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_I_TRPI81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 8 GLY B 205
THR B 156
ILE B 281
THR B 145
 None
None
None
SF4  B 803 (-3.9A)
 0.75A 1utdI-3or2B:
undetectable
1utdJ-3or2B:
undetectable		 1utdI-3or2B:
11.35
1utdJ-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_J_TRPJ81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3or2 SULFITE REDCUTASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 8 GLY B 205
THR B 156
ILE B 281
THR B 145
 None
None
None
SF4  B 803 (-3.9A)
 0.73A 1utdJ-3or2B:
undetectable
1utdK-3or2B:
undetectable		 1utdJ-3or2B:
11.35
1utdK-3or2B:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 6 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.36A 1v54A-3zxsA:
undetectable
1v54J-3zxsA:
undetectable		 1v54A-3zxsA:
22.32
1v54J-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_J_CHDJ3060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 7 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.33A 1v55A-3zxsA:
undetectable
1v55J-3zxsA:
undetectable		 1v55A-3zxsA:
22.32
1v55J-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		5 / 11 GLY B 177
GLU B 278
SER B 233
PHE B 131
HIS B 235
 SF4  B 401 (-3.6A)
None
SF4  B 401 ( 4.8A)
SF4  B 401 ( 4.6A)
None
 1.39A 1w76A-4pl2B:
2.2		 1w76A-4pl2B:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
gigas) 		5 / 12 GLY A  74
GLY A  75
GLY A 130
PHE A 155
HIS A  13
 SF4  A 267 ( 4.9A)
None
None
None
None
 1.04A 1wg8A-1yq9A:
undetectable		 1wg8A-1yq9A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_A_SAMA3142_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 4ucw HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Desulfovibrio
fructosivorans) 		5 / 12 GLY A  76
GLY A  77
GLY A 132
PHE A 154
HIS A  13
 SF4  A1267 ( 4.9A)
None
None
None
None
 1.03A 1wg8A-4ucwA:
undetectable		 1wg8A-4ucwA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
gigas) 		5 / 12 GLY A  74
GLY A  75
GLY A 130
PHE A 155
HIS A  13
 SF4  A 267 ( 4.9A)
None
None
None
None
 0.99A 1wg8B-1yq9A:
undetectable		 1wg8B-1yq9A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 4ucw HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Desulfovibrio
fructosivorans) 		5 / 12 GLY A  76
GLY A  77
GLY A 132
PHE A 154
HIS A  13
 SF4  A1267 ( 4.9A)
None
None
None
None
 0.99A 1wg8B-4ucwA:
undetectable		 1wg8B-4ucwA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		 2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A
ADENYLYLSULFATE
REDUCTASE, SUBUNIT B
(Archaeoglobus
fulgidus) 		3 / 3 ARG A 265
SER B 752
TYR B 751
 None
SF4  B1100 ( 4.5A)
None
 0.46A 1x70A-2fjaA:
undetectable		 1x70A-2fjaA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		 3gyx ADENYLYLSULFATE
REDUCTASE
(Desulfovibrio
gigas) 		3 / 3 ARG A 282
SER B  52
TYR B  51
 None
SF4  B1000 ( 4.6A)
None
 0.70A 1x70A-3gyxA:
undetectable		 1x70A-3gyxA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XIU_A_9CRA201_1
(RXR-LIKE PROTEIN)		 3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 12 CYH B 154
ALA B 156
ALA B 157
LEU B  93
ALA B  94
 SF4  B 246 (-2.2A)
None
None
None
None
 1.01A 1xiuA-3cirB:
undetectable		 1xiuA-3cirB:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y7I_A_SALA501_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		5 / 9 GLY C  23
SER C  20
LEU C  21
LEU C  79
HIS C  28
 SF4  C 201 (-3.5A)
None
None
None
None
 1.35A 1y7iA-5xfaC:
undetectable		 1y7iA-5xfaC:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_J_BEZJ5041_0
(CES1 PROTEIN)		 5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
(Cupriavidus
necator) 		4 / 4 GLY A 149
SER A  98
ILE A 151
HIS A 152
 None
None
SF4  A 503 ( 4.7A)
SF4  A 503 ( 4.7A)
 1.37A 1yajJ-5aa5A:
undetectable		 1yajJ-5aa5A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC2_E_NCAE509_0
(NAD-DEPENDENT
DEACETYLASE 2)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
(Methanosarcina
barkeri) 		4 / 6 LYS A 196
ASP A 192
GLU A 190
ARG A 104
 None
None
None
SF4  A 810 (-3.6A)
 1.50A 1yc2A-3cf4A:
5.1
1yc2B-3cf4A:
5.6
1yc2E-3cf4A:
5.5		 1yc2A-3cf4A:
17.10
1yc2B-3cf4A:
17.10
1yc2E-3cf4A:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 8 ASN A  41
GLY A 151
THR A 175
PHE A 168
 None
SF4  A 583 (-4.0A)
None
None
 1.08A 1ykiA-1fehA:
undetectable
1ykiB-1fehA:
undetectable		 1ykiA-1fehA:
17.13
1ykiB-1fehA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YKI_C_NFZC3219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 8 ASN A  41
GLY A 151
THR A 175
PHE A 168
 None
SF4  A 583 (-4.0A)
None
None
 1.07A 1ykiC-1fehA:
undetectable
1ykiD-1fehA:
undetectable		 1ykiC-1fehA:
17.13
1ykiD-1fehA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 3lzd DPH2
(Pyrococcus
horikoshii) 		4 / 7 CYH A 163
TYR A 165
CYH A 287
HIS A 184
 SF4  A 343 (-2.3A)
None
SF4  A 343 (-2.3A)
SO4  A 344 (-4.2A)
 1.40A 1yvmA-3lzdA:
undetectable		 1yvmA-3lzdA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 4m7s BTRN
(Bacillus
circulans) 		4 / 7 CYH A  16
CYH A  20
HIS A 117
HIS A  60
 SF4  A 502 (-2.4A)
SF4  A 502 (-2.3A)
SF4  A 502 (-3.8A)
SF4  A 502 ( 4.9A)
 1.22A 1yvmA-4m7sA:
undetectable		 1yvmA-4m7sA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZEA_A_DHIA6_0
(MONOCLONAL
ANTI-CHOLERA TOXIN
IGG1 KAPPA ANTIBODY,
H CHAIN
MONOCLONAL
ANTI-CHOLERA TOXIN
IGG1 KAPPA ANTIBODY,
L CHAIN
SHORT SYNTHETIC
D-AMINO ACID PEPTIDE
D2)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
F420-REDUCING
HYDROGENASE, SUBUNIT
BETA
(Methanothermobac
ter
marburgensis;
Methanothermobac
ter
marburgensis) 		3 / 3 TRP B 264
ARG B 261
PHE C 281
 None
SF4  C1282 ( 4.4A)
None
 1.22A 1zeaH-4ci0B:
undetectable
1zeaL-4ci0B:
undetectable		 1zeaH-4ci0B:
20.79
1zeaL-4ci0B:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
(Thermus
thermophilus) 		4 / 4 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
 None
None
None
SF4  1 439 ( 4.5A)
 1.00A 1zzqA-3i9v1:
0.0		 1zzqA-3i9v1:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
(Thermus
thermophilus) 		4 / 5 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
 None
None
None
SF4  1 439 ( 4.5A)
 1.01A 1zzqB-3i9v1:
undetectable		 1zzqB-3i9v1:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		4 / 5 GLY A 127
GLN A 157
VAL A 240
SER A 160
 SF4  A1026 ( 4.2A)
None
None
None
 1.23A 1zzuA-1h7wA:
0.0		 1zzuA-1h7wA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
(Thermus
thermophilus) 		4 / 5 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
 None
None
None
SF4  1 439 ( 4.5A)
 0.99A 1zzuA-3i9v1:
undetectable		 1zzuA-3i9v1:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
209D_C_DVAC8_0
(N8-ACTINOMYCIN D)		 5e7o DMSO REDUCTASE
FAMILY TYPE II
ENZYME, IRON-SULFUR
SUBUNIT
(Azospira
oryzae) 		3 / 3 THR B 252
THR B 141
PRO B 254
 SF4  B 403 ( 4.9A)
None
None
 0.81A 209dC-5e7oB:
undetectable		 209dC-5e7oB:
4.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A68_C_RBTC8001_1
(DNA-DIRECTED RNA
POLYMERASE BETA
CHAIN
RNA POLYMERASE SIGMA
FACTOR RPOD)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9
(Thermus
thermophilus) 		5 / 11 GLN 4 166
HIS 9  38
PRO 9  64
ILE 9  99
ASP 4  94
 None
None
None
SF4  9 183 (-4.3A)
None
 1.28A 2a68C-3i9v4:
0.4
2a68F-3i9v4:
1.5		 2a68C-3i9v4:
18.34
2a68F-3i9v4:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA6_B_STRB402_1
(MINERALOCORTICOID
RECEPTOR)		 2vpw NRFC PROTEIN
(Thermus
thermophilus) 		5 / 12 LEU B 175
GLN B  57
ARG B 140
LEU B 123
THR B  78
 None
SF4  B1195 (-4.0A)
SF4  B1194 (-4.7A)
None
None
 1.40A 2aa6B-2vpwB:
undetectable		 2aa6B-2vpwB:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		4 / 5 LEU G  60
PRO G  23
VAL G  24
ILE G  45
 None
None
None
SF4  G 102 ( 3.9A)
 1.02A 2aoiB-5t5iG:
undetectable		 2aoiB-5t5iG:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AQJ_A_TRPA650_0
(TRYPTOPHAN
HALOGENASE, PRNA)		 5ldw NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
8, MITOCHONDRIAL
(Bos
taurus) 		5 / 11 ILE I 165
ILE I 131
GLU I 133
GLU I 164
ASN I 136
 None
SF4  I 202 (-4.8A)
None
None
None
 1.22A 2aqjA-5ldwI:
undetectable		 2aqjA-5ldwI:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AVO_B_MK1B902_1
(POL POLYPROTEIN)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 9 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.06A 2avoA-5t5iG:
undetectable		 2avoA-5t5iG:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_D_SAMD301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens) 		3 / 3 ASP A 205
ASP A  87
ASN A 181
 SF4  A1000 ( 3.9A)
None
None
 0.86A 2bm9D-2b3xA:
undetectable		 2bm9D-2b3xA:
14.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BNN_B_FCNB1199_1
(EPOXIDASE)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		4 / 8 TYR B 355
LEU B  13
ASN B  42
ALA B  16
 None
None
SF4  B 803 (-4.9A)
None
 0.95A 2bnnA-3egwB:
undetectable
2bnnB-3egwB:
undetectable		 2bnnA-3egwB:
17.98
2bnnB-3egwB:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BR4_F_SAMF301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B
(Thermosynechococ
cus
elongatus;
Thermosynechococ
cus
elongatus) 		3 / 3 LYS B  72
ASP B  36
CYH A 107
 None
SF4  A 602 (-2.8A)
SF4  A 602 (-2.3A)
 1.32A 2br4F-2xdqB:
3.4		 2br4F-2xdqB:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 ILE C  64
LEU C 112
LEU C  99
CYH C  42
LEU C  35
 None
None
None
SF4  C1413 (-2.3A)
None
 1.15A 2bxfA-2ynmC:
undetectable		 2bxfA-2ynmC:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		4 / 8 ALA C 115
ALA C  76
SER C 102
VAL C  37
 None
None
SF4  C1413 (-4.7A)
None
 0.80A 2bxgA-2ynmC:
undetectable		 2bxgA-2ynmC:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4zk6 QUINOLINATE SYNTHASE
A
(Pyrococcus
horikoshii) 		5 / 12 HIS A 173
GLU A 198
HIS A 196
HIS A  21
TYR A  23
 NTM  A 402 (-4.6A)
NTM  A 402 (-3.2A)
NTM  A 402 ( 3.7A)
NTM  A 402 ( 3.9A)
SF4  A 401 (-4.8A)
 1.46A 2c6nB-4zk6A:
undetectable		 2c6nB-4zk6A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		 1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E
(Clostridium
aminobutyricum) 		5 / 12 PHE A  72
VAL A 104
THR A  96
GLY A 298
LEU A  48
 None
SF4  A 491 ( 4.7A)
None
None
None
 1.17A 2cbrA-1u8vA:
undetectable		 2cbrA-1u8vA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CC8_A_RBFA1067_1
(VNG1446H)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT
(Thauera
aromatica) 		3 / 3 PHE B 124
VAL A 687
TRP B 131
 SF4  B1910 ( 4.9A)
None
None
 0.74A 2cc8A-1sb3B:
0.2		 2cc8A-1sb3B:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CCB_A_RBFA1067_1
(VNG1446H)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT
(Thauera
aromatica) 		3 / 3 PHE B 124
VAL A 687
TRP B 131
 SF4  B1910 ( 4.9A)
None
None
 0.75A 2ccbA-1sb3B:
0.0		 2ccbA-1sb3B:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		 1ir0 FERREDOXIN
(Bacillus
thermoproteolyti
cus) 		4 / 8 GLY A  60
GLU A  59
ALA A  57
ILE A  66
 None
None
None
SF4  A  82 (-4.8A)
 0.65A 2dtjA-1ir0A:
undetectable
2dtjB-1ir0A:
undetectable		 2dtjA-1ir0A:
18.63
2dtjB-1ir0A:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 6 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.39A 2dyrA-3zxsA:
undetectable
2dyrJ-3zxsA:
undetectable		 2dyrA-3zxsA:
22.32
2dyrJ-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_J_CHDJ101_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 6 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.38A 2dysA-3zxsA:
undetectable
2dysJ-3zxsA:
undetectable		 2dysA-3zxsA:
22.32
2dysJ-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_W_CHDW101_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 6 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.32A 2dysN-3zxsA:
undetectable
2dysW-3zxsA:
undetectable		 2dysN-3zxsA:
22.32
2dysW-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 6 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.36A 2eijA-3zxsA:
undetectable
2eijJ-3zxsA:
undetectable		 2eijA-3zxsA:
22.32
2eijJ-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 6 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.32A 2eilA-3zxsA:
undetectable
2eilJ-3zxsA:
undetectable		 2eilA-3zxsA:
22.32
2eilJ-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		4 / 5 TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
SF4  A1510 (-4.5A)
None
 1.19A 2eimJ-3zxsA:
undetectable		 2eimJ-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		4 / 5 TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
SF4  A1510 (-4.5A)
None
 1.19A 2eimW-3zxsA:
undetectable		 2eimW-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 4gd3 HYDROGENASE-1 SMALL
CHAIN
(Escherichia
coli) 		4 / 6 ARG S 174
ASN S 228
PRO S 147
ALA S 253
 None
SF4  S 402 ( 4.5A)
None
SF4  S 402 ( 4.4A)
 1.32A 2ejfB-4gd3S:
undetectable		 2ejfB-4gd3S:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 11 SER A  77
GLN A 123
ALA A 131
GLY A 113
THR A 114
 None
None
None
SF4  A2001 (-3.6A)
None
 1.03A 2f16H-3myrA:
undetectable
2f16I-3myrA:
undetectable		 2f16H-3myrA:
19.32
2f16I-3myrA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 11 SER A  77
GLN A 123
ALA A 131
GLY A 113
THR A 114
 None
None
None
SF4  A2001 (-3.6A)
None
 1.03A 2f16V-3myrA:
undetectable
2f16W-3myrA:
undetectable		 2f16V-3myrA:
19.32
2f16W-3myrA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F80_B_017B301_1
(POL POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.95A 2f80A-2ynmA:
undetectable		 2f80A-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F80_B_017B301_2
(POL POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.92A 2f80B-2ynmA:
undetectable		 2f80B-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F81_A_017A302_2
(POL POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 2f81B-2ynmA:
undetectable		 2f81B-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8G_B_017B401_1
(POL POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.02A 2f8gA-2ynmA:
undetectable		 2f8gA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8L_A_SAMA400_1
(HYPOTHETICAL PROTEIN
LMO1582)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 4 THR A 163
THR A 188
ASP A 186
ASP A 363
 SF4  A 582 (-4.1A)
None
None
None
 1.35A 2f8lA-1fehA:
undetectable		 2f8lA-1fehA:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		8 / 8 TYR A  30
CYH A  31
THR A  73
GLU A  76
THR A 102
SER A 126
VAL A 167
MET A 197
 SAM  A1501 ( 4.5A)
SF4  A1401 (-2.3A)
SAM  A1501 (-4.0A)
SAM  A1501 (-4.4A)
SAM  A1501 (-4.3A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 (-4.2A)
 0.16A 2fb2A-1tv8A:
53.1		 2fb2A-1tv8A:
99.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME
(Escherichia
coli) 		4 / 8 TYR A  35
CYH A  36
GLU A  79
VAL A 168
 None
SF4  A 500 (-2.2A)
None
None
 0.80A 2fb2A-3c8fA:
14.9		 2fb2A-3c8fA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		5 / 8 TYR A  21
CYH A  22
GLU A  67
SER A 122
VAL A 165
 SAM  A 504 (-4.6A)
SF4  A 503 ( 2.2A)
SAM  A 504 (-4.1A)
SAM  A 504 (-2.5A)
SAM  A 504 (-4.7A)
 0.69A 2fb2A-4k37A:
18.6		 2fb2A-4k37A:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		4 / 8 CYH A  49
THR A  90
GLU A  93
VAL A 151
 SF4  A 301 ( 2.2A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SAM  A 302 (-4.5A)
 0.67A 2fb2A-4njiA:
8.7		 2fb2A-4njiA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		4 / 8 CYH B 132
GLU B 180
SER B 233
VAL B 280
 SF4  B 401 (-2.1A)
SF4  B 401 ( 4.8A)
SF4  B 401 ( 4.8A)
None
 0.77A 2fb2A-4pl2B:
12.0		 2fb2A-4pl2B:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 5hr6 RLMN METHYLASE
(Escherichia
coli) 		4 / 8 CYH A 132
GLU A 180
SER A 233
VAL A 280
 SF4  A 502 ( 2.2A)
MET  A 501 (-4.0A)
MET  A 501 ( 2.6A)
5AD  A 503 (-4.8A)
 0.69A 2fb2A-5hr6A:
12.2		 2fb2A-5hr6A:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 5v1s RADICAL SAM
(Streptococcus
suis) 		5 / 8 CYH A 124
GLU A 161
THR A 185
SER A 210
VAL A 249
 SF4  A 601 ( 2.2A)
SAM  A 604 (-4.4A)
SAM  A 604 (-3.8A)
SAM  A 604 (-2.4A)
SAM  A 604 (-4.2A)
 0.71A 2fb2A-5v1sA:
22.0		 2fb2A-5v1sA:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2
(Mus
musculus) 		4 / 8 CYH A  91
GLU A 127
SER A 180
VAL A 224
 SF4  A 401 ( 2.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-2.4A)
SAH  A 402 (-4.3A)
 0.73A 2fb2A-5vslA:
18.5		 2fb2A-5vslA:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 5wgg RADICAL SAM DOMAIN
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		5 / 8 TYR A 110
CYH A 111
GLU A 155
THR A 186
SER A 210
 SAM  A 504 (-4.8A)
SF4  A 502 ( 2.4A)
SAM  A 504 (-3.7A)
SAM  A 504 (-4.2A)
SAM  A 504 (-2.5A)
 0.44A 2fb2A-5wggA:
17.8		 2fb2A-5wggA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		 5wgg RADICAL SAM DOMAIN
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		4 / 8 TYR A 110
CYH A 111
THR A 186
GLU A 155
 SAM  A 504 (-4.8A)
SF4  A 502 ( 2.4A)
SAM  A 504 (-4.2A)
SAM  A 504 (-3.7A)
 1.05A 2fb2A-5wggA:
17.8		 2fb2A-5wggA:
22.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HMA_A_SAMA375_0
(PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE)		 2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens) 		5 / 11 GLY A 220
SER A 779
ASP A 125
THR A 208
HIS A 178
 None
None
None
None
SF4  A1000 (-4.5A)
 1.48A 2hmaA-2b3xA:
undetectable		 2hmaA-2b3xA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRE_B_CHDB701_0
(FERROCHELATASE)		 5v8k P800 REACTION CENTER
CORE PROTEIN
(Heliobacterium
modesticaldum) 		3 / 3 LYS A 587
GLY A 434
PRO A 435
 None
SF4  A1029 (-3.6A)
None
 1.00A 2hreB-5v8kA:
undetectable		 2hreB-5v8kA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HS2_A_017A201_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.97A 2hs2B-2ynmA:
undetectable		 2hs2B-2ynmA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IEN_B_017B402_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.96A 2ienB-2ynmA:
undetectable		 2ienB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IJ7_A_TPFA2472_1
(CYTOCHROME P450 121)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus) 		5 / 11 VAL E 245
ASN E 175
ALA E 255
SER E 258
ARG D  84
 None
SF4  A 707 (-3.5A)
None
None
None
 1.38A 2ij7A-5odrE:
undetectable		 2ij7A-5odrE:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IJ7_D_TPFD2473_1
(CYTOCHROME P450 121)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus) 		5 / 10 VAL E 245
ASN E 175
ALA E 255
SER E 258
ARG D  84
 None
SF4  A 707 (-3.5A)
None
None
None
 1.39A 2ij7D-5odrE:
undetectable		 2ij7D-5odrE:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IJ7_F_TPFF2474_1
(CYTOCHROME P450 121)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus) 		5 / 10 VAL E 245
ASN E 175
ALA E 255
SER E 258
ARG D  84
 None
SF4  A 707 (-3.5A)
None
None
None
 1.40A 2ij7F-5odrE:
undetectable		 2ij7F-5odrE:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IVU_A_ZD6A3015_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 3b0h NITRITE REDUCTASE
(Nicotiana
tabacum) 		3 / 3 ALA A 487
GLY A 443
SER A 458
 None
SF4  A 602 ( 4.3A)
None
 0.60A 2ivuA-3b0hA:
undetectable		 2ivuA-3b0hA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IVU_A_ZD6A3015_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET
PRECURSOR)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
(Thermus
thermophilus) 		3 / 3 ALA 1 406
GLY 1 362
SER 1 398
 None
None
SF4  1 439 ( 4.5A)
 0.58A 2ivuA-3i9v1:
undetectable		 2ivuA-3i9v1:
23.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2LBD_A_REAA500_1
(RETINOIC ACID
RECEPTOR GAMMA)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		5 / 12 CYH B 159
LEU B 171
ILE B 173
GLY A  44
LEU A  41
 SF4  B 302 (-2.2A)
None
None
None
None
 1.20A 2lbdA-5xfaB:
undetectable		 2lbdA-5xfaB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE
(Bacillus
subtilis) 		3 / 3 THR A 388
ASP A 127
SER A 125
 SF4  A 466 ( 4.1A)
None
None
 0.47A 2nxeA-1ao0A:
3.1		 2nxeA-1ao0A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_B_SAMB303_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE
(Bacillus
subtilis) 		3 / 3 THR A 388
ASP A 127
SER A 125
 SF4  A 466 ( 4.1A)
None
None
 0.43A 2nxeB-1ao0A:
3.1		 2nxeB-1ao0A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4L_A_TPVA403_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.00A 2o4lA-2ynmA:
undetectable		 2o4lA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4P_A_TPVA300_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 9 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.90A 2o4pB-2ynmA:
undetectable		 2o4pB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4P_A_TPVA300_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 9 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.94A 2o4pB-2ynmA:
undetectable		 2o4pB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_D_SNLD4001_2
(MINERALOCORTICOID
RECEPTOR)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 5 LEU A 140
LEU A 191
CYH A 355
THR A 380
 SF4  A 582 ( 4.9A)
SF4  A 582 (-4.3A)
SF4  A 581 ( 2.3A)
None
 1.22A 2oaxD-1fehA:
undetectable		 2oaxD-1fehA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6dd6 PHOTOLYASE PHRB
(Agrobacterium
tumefaciens) 		5 / 12 ALA A 380
PHE A 456
SER A 427
THR A 346
TYR A 341
 None
SF4  A 603 ( 4.9A)
None
None
None
 1.12A 2oipC-6dd6A:
2.8		 2oipC-6dd6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_A_SAMA300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
[FE]-HYDROGENASE
(SMALL SUBUNIT)
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 12 GLY A  70
GLY A 380
THR A 299
ILE D  47
VAL A 383
 SF4  A   2 (-3.8A)
None
None
None
None
 1.04A 2oxtA-1e08A:
undetectable		 2oxtA-1e08A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_A_SAMA300_1
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		3 / 3 SER A 146
HIS A  32
ASP A  82
 MD1  A1004 ( 4.7A)
SF4  A1001 (-3.3A)
NA  A1015 ( 4.9A)
 0.81A 2oxtA-5chcA:
undetectable		 2oxtA-5chcA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PXC_A_SAMA500_0
(GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)])		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		6 / 12 GLY L 163
GLY L 457
GLY L 459
GLY L 166
VAL L  58
ILE L 453
 FAD  L 503 (-3.2A)
None
None
None
None
SF4  L 501 ( 4.4A)
 1.49A 2pxcA-5jfcL:
3.9		 2pxcA-5jfcL:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PXC_A_SAMA500_0
(GENOME POLYPROTEIN
[CONTAINS: CAPSID
PROTEIN C (CORE
PROTEIN)
ENVELOPE PROTEIN M
(MATRIX PROTEIN)
MAJOR ENVELOPE
PROTEIN E
NON-STRUCTURAL
PROTEIN 1 (NS1)
NON-STRUCTURAL
PROTEIN 2A (NS2A)
FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT
NON-STRUCTURAL
PROTEIN 4A (NS4A)
NON-STRUCTURAL
PROTEIN 4B (NS4B)
RNA-DIRECTED RNA
POLYMERASE (EC
2.7.7.48) (NS5)])		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		6 / 12 GLY A 163
GLY A 458
GLY A 460
GLY A 166
VAL A  58
ILE A 454
 FAD  A 503 (-3.4A)
None
None
None
None
SF4  A 501 ( 4.3A)
 1.49A 2pxcA-5vj7A:
3.1		 2pxcA-5vj7A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.93A 2pymA-2ynmA:
undetectable		 2pymA-2ynmA:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.94A 2pymB-2ynmA:
undetectable		 2pymB-2ynmA:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 2pynA-2ynmA:
undetectable		 2pynA-2ynmA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 2pynB-2ynmA:
undetectable		 2pynB-2ynmA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q6H_A_CXXA802_1
(TRANSPORTER)		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A
(Methanothermococ
cus
thermolithotroph
icus) 		4 / 7 SER A 492
ARG A 431
ILE A 430
PHE A 452
 None
SF4  A 702 (-4.5A)
None
GOL  A 709 (-4.4A)
 1.09A 2q6hA-5odrA:
undetectable		 2q6hA-5odrA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD3_B_CHDB504_0
(FERROCHELATASE)		 3o3m BETA SUBUNIT
2-HYDROXYACYL-COA
DEHYDRATASE
(Clostridioides
difficile) 		4 / 6 MET B 322
PRO B 327
SER B 292
MET B  98
 None
SF4  B 386 ( 4.5A)
None
None
 1.36A 2qd3B-3o3mB:
1.9		 2qd3B-3o3mB:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD4_B_CHDB927_0
(FERROCHELATASE)		 1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN
(Wolinella
succinogenes) 		3 / 3 LEU B 222
PRO B 223
ARG B 181
 SF4  B1242 ( 4.5A)
None
None
 0.57A 2qd4B-1qlbB:
undetectable		 2qd4B-1qlbB:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
[FE]-HYDROGENASE
(SMALL SUBUNIT)
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 12 ALA A 109
GLY A 381
GLY A 297
ILE D  47
GLY A 386
 PDT  A   4 ( 3.1A)
SF4  A   3 ( 3.9A)
PDT  A   4 (-3.3A)
None
SF4  A   3 ( 4.3A)
 0.90A 2qe6A-1e08A:
undetectable		 2qe6A-1e08A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QE6_A_SAMA400_0
(UNCHARACTERIZED
PROTEIN TFU_2867)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 12 GLY L 297
GLY L 381
VAL L 302
GLY L 301
TYR S  51
 CYN  L 429 ( 3.7A)
SF4  L 424 ( 4.4A)
None
None
None
 0.87A 2qe6A-1hfeL:
undetectable		 2qe6A-1hfeL:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEU_B_ACTB141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA
NADH-PLASTOQUINONE
OXIDOREDUCTASE
SUBUNIT
(Pyrococcus
furiosus;
Pyrococcus
furiosus;
Pyrococcus
furiosus) 		3 / 3 PRO J 133
ASN L 148
ARG N  36
 SF4  J 201 ( 3.8A)
None
None
 0.99A 2qeuB-6cfwJ:
undetectable		 2qeuB-6cfwJ:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_ACTA502_0
(CHORISMATE SYNTHASE)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
(Methanothermobac
ter
marburgensis) 		3 / 3 GLY B  59
ASP B  60
SER B  63
 SF4  B1274 (-3.5A)
SF4  B1274 (-1.7A)
None
 0.74A 2qhfA-4ci0B:
undetectable		 2qhfA-4ci0B:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		5 / 12 ILE B 144
ILE B 141
ASP B 142
ALA B  20
HIS B  25
 None
None
None
None
SF4  B1012 (-4.0A)
 1.43A 2qmjA-1h0hB:
undetectable		 2qmjA-1h0hB:
13.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QX6_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		4 / 6 GLY C 100
GLY C  23
PHE D  60
PHE D  63
 None
SF4  C 201 (-3.5A)
None
None
 1.03A 2qx6A-5xfaC:
2.6
2qx6B-5xfaC:
2.3		 2qx6A-5xfaC:
21.03
2qx6B-5xfaC:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5Q_B_1UNB900_1
(PROTEASE)		 4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A
(Thermotoga
maritima) 		5 / 9 ILE B 113
GLY B  87
PRO B  52
VAL B  53
ILE B  55
 SF4  B 502 ( 4.8A)
None
SF4  B 502 ( 4.9A)
None
SF4  B 502 ( 4.4A)
 1.18A 2r5qA-4yryB:
undetectable		 2r5qA-4yryB:
13.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5Q_B_1UNB900_1
(PROTEASE)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 9 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.12A 2r5qA-5t5iG:
undetectable		 2r5qA-5t5iG:
27.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5Q_D_1UND900_1
(PROTEASE)		 4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A
(Thermotoga
maritima) 		5 / 9 ILE B 113
GLY B  87
PRO B  52
VAL B  53
ILE B  55
 SF4  B 502 ( 4.8A)
None
SF4  B 502 ( 4.9A)
None
SF4  B 502 ( 4.4A)
 1.18A 2r5qC-4yryB:
undetectable		 2r5qC-4yryB:
13.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5Q_D_1UND900_1
(PROTEASE)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 9 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.12A 2r5qC-5t5iG:
undetectable		 2r5qC-5t5iG:
27.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RKF_A_AB1A501_1
(PROTEASE RETROPEPSIN)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 ALA A  72
ILE A 101
GLY A 153
ALA A 112
ILE A 104
 None
None
SF4  A1026 ( 3.9A)
None
None
 0.85A 2rkfA-1h7wA:
undetectable		 2rkfA-1h7wA:
7.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RKF_A_AB1A501_2
(PROTEASE RETROPEPSIN)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 ALA A  72
ILE A 101
GLY A 153
ALA A 112
ILE A 104
 None
None
SF4  A1026 ( 3.9A)
None
None
 0.85A 2rkfB-1h7wA:
undetectable		 2rkfB-1h7wA:
7.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VH3_A_DAHA2_1
(RANASMURFIN)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii) 		5 / 9 ALA G  33
ALA B 167
SER B 162
GLY G  16
ALA G  21
 None
None
None
SF4  G 101 (-4.0A)
None
 1.18A 2vh3A-5t5iG:
undetectable		 2vh3A-5t5iG:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VJ1_A_BEZA1303_0
(SARS CORONAVIRUS
MAIN PROTEINASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9
(Thermus
thermophilus) 		3 / 3 HIS 9  41
MET 9 136
MET 9  95
 SF4  9 183 (-4.5A)
None
None
 1.31A 2vj1A-3i9v9:
undetectable		 2vj1A-3i9v9:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VUF_B_FUAB2002_1
(SERUM ALBUMIN)		 5xvd HYDROGENASE-2 SMALL
CHAIN
(Citrobacter
sp.
MGH106) 		4 / 9 ILE S 191
ALA S 250
VAL S 249
CYH S 226
 None
None
SF4  S 401 ( 4.9A)
SF4  S 401 (-2.3A)
 1.04A 2vufB-5xvdS:
undetectable		 2vufB-5xvdS:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VUF_B_FUAB2002_1
(SERUM ALBUMIN)		 6en9 HYDROGENASE-2 SMALL
CHAIN
(Escherichia
coli) 		4 / 9 ILE S 191
ALA S 250
VAL S 249
CYH S 226
 None
None
SF4  S 301 ( 4.9A)
SF4  S 301 (-2.3A)
 1.03A 2vufB-6en9S:
undetectable		 2vufB-6en9S:
9.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VX9_A_RBFA1064_1
(DODECIN)		 1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT
(Thauera
aromatica) 		3 / 3 PHE B 124
VAL A 687
TRP B 131
 SF4  B1910 ( 4.9A)
None
None
 0.73A 2vx9A-1sb3B:
0.2		 2vx9A-1sb3B:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEK_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 7 VAL A 496
GLY A 473
ALA A 474
LEU A 191
 None
None
None
SF4  A 582 (-4.3A)
 0.92A 2wekB-1fehA:
2.4		 2wekB-1fehA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus) 		5 / 12 HIS E  16
LEU E  35
VAL E 160
GLU E  57
MET E  72
 None
None
None
SF4  E 302 (-3.8A)
None
 1.28A 2weyA-5odrE:
undetectable		 2weyA-5odrE:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_C_QPSC1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
(Moorella
thermoacetica) 		5 / 12 VAL M 149
SER M 539
VAL M 531
GLY M 526
ALA M 530
 None
None
SF4  M 900 ( 4.3A)
SF4  M 900 (-3.6A)
None
 1.23A 2x2iC-3i04M:
undetectable		 2x2iC-3i04M:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2N_A_X2NA1480_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		5 / 12 TYR A 190
PHE A 175
TYR A 185
PRO A 173
ALA A 377
 None
None
None
None
SF4  A   3 (-3.5A)
 1.20A 2x2nA-1e08A:
0.3		 2x2nA-1e08A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2N_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN
(Azotobacter
vinelandii) 		5 / 12 PRO B 345
VAL B 361
ALA A  63
ALA A  61
THR B  21
 None
None
None
SF4  A 501 ( 4.3A)
None
 1.10A 2x2nC-3pdiB:
undetectable		 2x2nC-3pdiB:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X7H_A_PFNA1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
BETA
(Methanothermobac
ter
marburgensis) 		4 / 6 PRO C 139
SER C 142
GLU C 136
CYH C 192
 None
None
None
SF4  C1282 (-1.9A)
 1.09A 2x7hA-4ci0C:
undetectable		 2x7hA-4ci0C:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X7H_A_PFNA1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4r33 NOSL
(Streptomyces
actuosus) 		4 / 6 SER A 153
GLU A 143
TYR A 144
CYH A  95
 None
None
None
SF4  A 502 (-2.2A)
 1.20A 2x7hA-4r33A:
undetectable		 2x7hA-4r33A:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zk6 QUINOLINATE SYNTHASE
A
(Pyrococcus
horikoshii) 		5 / 11 HIS A 173
GLU A 198
HIS A 196
HIS A  21
TYR A  23
 NTM  A 402 (-4.6A)
NTM  A 402 (-3.2A)
NTM  A 402 ( 3.7A)
NTM  A 402 ( 3.9A)
SF4  A 401 (-4.8A)
 1.37A 2x8zA-4zk6A:
undetectable		 2x8zA-4zk6A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4zk6 QUINOLINATE SYNTHASE
A
(Pyrococcus
horikoshii) 		5 / 12 HIS A 173
GLU A 198
HIS A 196
HIS A  21
TYR A  23
 NTM  A 402 (-4.6A)
NTM  A 402 (-3.2A)
NTM  A 402 ( 3.7A)
NTM  A 402 ( 3.9A)
SF4  A 401 (-4.8A)
 1.37A 2x91A-4zk6A:
undetectable		 2x91A-4zk6A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XH9_A_J01A1437_1
(ORF12)		 4h4c 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Escherichia
coli) 		5 / 11 SER A 228
SER A 225
ALA A 268
GLY A 267
ALA A 266
 10D  A 402 ( 4.8A)
10D  A 402 (-2.4A)
SF4  A 401 ( 4.0A)
None
None
 1.23A 2xh9A-4h4cA:
undetectable		 2xh9A-4h4cA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XH9_B_J01B1437_1
(ORF12)		 4h4c 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Escherichia
coli) 		5 / 10 SER A 228
SER A 225
ALA A 268
GLY A 267
ALA A 266
 10D  A 402 ( 4.8A)
10D  A 402 (-2.4A)
SF4  A 401 ( 4.0A)
None
None
 1.25A 2xh9B-4h4cA:
undetectable		 2xh9B-4h4cA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_C_ACHC1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN
(Azospirillum
brasilense) 		4 / 8 ILE G  65
TRP G  68
VAL G 123
CYH G 104
 SF4  G 483 (-4.7A)
None
None
SF4  G 482 (-2.4A)
 0.95A 2xz5A-2vdcG:
undetectable
2xz5C-2vdcG:
undetectable		 2xz5A-2vdcG:
18.74
2xz5C-2vdcG:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XZ5_D_ACHD1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN
(Azospirillum
brasilense) 		4 / 8 ILE G  65
TRP G  68
VAL G 123
CYH G 104
 SF4  G 483 (-4.7A)
None
None
SF4  G 482 (-2.4A)
 0.94A 2xz5C-2vdcG:
undetectable
2xz5D-2vdcG:
undetectable		 2xz5C-2vdcG:
18.74
2xz5D-2vdcG:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7K_A_SALA1303_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
(Prochlorococcus
marinus) 		4 / 7 PRO A  67
SER A 115
ILE A  84
GLY A 126
 None
None
EPE  A1298 (-4.9A)
SF4  A1302 (-3.9A)
 0.97A 2y7kA-2ynmA:
undetectable		 2y7kA-2ynmA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y7P_A_SALA1000_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens) 		5 / 10 ILE A 211
GLY A 218
GLY A 203
HIS A 178
ILE A  84
 None
None
None
SF4  A1000 (-4.5A)
None
 1.34A 2y7pA-2b3xA:
undetectable		 2y7pA-2b3xA:
13.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGP_A_PCFA1213_0
(WNT INHIBITORY
FACTOR 1)		 4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT
(Desulfomicrobium
baculatum) 		5 / 12 ILE S  36
LEU S  37
VAL S 123
VAL S 161
PRO S 165
 None
None
None
None
SF4  S 303 (-4.0A)
 1.11A 2ygpA-4ko2S:
undetectable		 2ygpA-4ko2S:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YLD_A_ASCA130_0
(CYTOCHROME C')		 1dur 2[4FE-4S] FERREDOXIN
(Peptoniphilus
asaccharolyticus) 		4 / 5 ALA A  50
GLY A  12
CYH A  14
LYS A  15
 SF4  A  56 ( 3.8A)
SF4  A  56 (-4.0A)
SF4  A  56 (-2.2A)
None
 1.46A 2yldA-1durA:
undetectable		 2yldA-1durA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YLD_A_ASCA130_0
(CYTOCHROME C')		 1isu HIGH POTENTIAL IRON
SULFUR PROTEIN
(Rhodocyclus
tenuis) 		4 / 5 ALA A  37
GLY A  53
CYH A  22
LYS A  21
 None
None
SF4  A  63 (-2.2A)
None
 1.44A 2yldA-1isuA:
undetectable		 2yldA-1isuA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YLG_A_ASCA130_0
(CYTOCHROME C')		 1isu HIGH POTENTIAL IRON
SULFUR PROTEIN
(Rhodocyclus
tenuis) 		4 / 5 ALA A  37
GLY A  53
CYH A  22
LYS A  21
 None
None
SF4  A  63 (-2.2A)
None
 1.49A 2ylgA-1isuA:
undetectable		 2ylgA-1isuA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_D_SAMD603_0
(HYPOTHETICAL PROTEIN)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		5 / 12 GLY B 179
GLY B 177
ALA B 118
ALA B 135
PHE B 139
 SF4  B 401 (-3.8A)
SF4  B 401 (-3.6A)
None
SF4  B 401 (-3.5A)
None
 1.17A 2yvlD-4pl2B:
undetectable		 2yvlD-4pl2B:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YVL_D_SAMD603_0
(HYPOTHETICAL PROTEIN)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae;
Cyanidioschyzon
merolae) 		5 / 12 ILE A 559
GLY A 573
GLY A 575
ASP B 558
ASP A 572
 None
SF4  A3001 ( 4.0A)
None
None
None
 0.98A 2yvlD-6fosA:
undetectable		 2yvlD-6fosA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 5xmj FUMARATE REDUCTASE
RESPIRATORY COMPLEX
SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT
(Desulfovibrio
gigas) 		5 / 12 LEU B 224
CYH B 151
VAL B 217
HIS C 106
LEU C 104
 SF4  B 302 (-4.7A)
SF4  B 302 (-2.2A)
None
None
None
 1.20A 2zlcA-5xmjB:
undetectable		 2zlcA-5xmjB:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		 1blu FERREDOXIN
(Allochromatium
vinosum) 		3 / 3 PRO A  19
GLU A  51
TYR A  44
 SF4  A 102 ( 4.9A)
None
None
 0.82A 2zmbA-1bluA:
undetectable		 2zmbA-1bluA:
13.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_B_VDYB6178_1
(VITAMIN D
HYDROXYLASE)		 4fe1 PHOTOSYSTEM I
IRON-SULFUR CENTER
(Thermosynechococ
cus
elongatus) 		5 / 12 PRO C  58
THR C  59
ILE C   6
VAL C  24
LEU C  25
 SF4  C 102 ( 4.9A)
SF4  C 102 ( 4.4A)
None
SF4  C 101 (-4.3A)
SF4  C 101 ( 4.9A)
 1.23A 3a51B-4fe1C:
undetectable		 3a51B-4fe1C:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 6 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.42A 3abmA-3zxsA:
undetectable
3abmJ-3zxsA:
undetectable		 3abmA-3zxsA:
22.32
3abmJ-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ADS_A_IMNA1_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
(Thermus
thermophilus) 		5 / 10 ARG 3 178
ILE 3 211
ARG 3 186
LEU 3  39
ILE 3 226
 None
SF4  3 785 ( 4.5A)
None
None
None
 1.46A 3adsA-3i9v3:
undetectable		 3adsA-3i9v3:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		4 / 5 TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
SF4  A1510 (-4.5A)
None
 1.22A 3ag1J-3zxsA:
undetectable		 3ag1J-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		4 / 5 TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
SF4  A1510 (-4.5A)
None
 1.17A 3ag2J-3zxsA:
undetectable		 3ag2J-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 7 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.34A 3ag3A-3zxsA:
undetectable
3ag3J-3zxsA:
undetectable		 3ag3A-3zxsA:
22.32
3ag3J-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		4 / 5 TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
SF4  A1510 (-4.5A)
None
 1.25A 3ag4J-3zxsA:
undetectable		 3ag4J-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		4 / 7 LEU A 502
PHE A 498
TYR A 439
MET A 344
 None
None
None
SF4  A1510 (-4.5A)
 1.05A 3ag4N-3zxsA:
undetectable
3ag4W-3zxsA:
undetectable		 3ag4N-3zxsA:
22.32
3ag4W-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus) 		4 / 7 GLY E  58
HIS F  15
HIS E  16
TRP E   8
 SF4  E 302 ( 4.9A)
None
None
None
 0.84A 3ai8A-5odrE:
undetectable		 3ai8A-5odrE:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AI8_B_HNQB255_1
(CATHEPSIN B)		 4gd3 HYDROGENASE-1 SMALL
CHAIN
(Escherichia
coli) 		4 / 6 GLN S 272
GLY S 274
HIS S 187
CYH S 215
 None
None
SF4  S 401 (-3.0A)
SF4  S 401 (-2.1A)
 1.22A 3ai8B-4gd3S:
undetectable		 3ai8B-4gd3S:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AIA_A_SAMA206_0
(UPF0217 PROTEIN
MJ1640)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
(Thermus
thermophilus) 		4 / 6 LEU 3 176
GLY 3 233
LEU 3 170
SER 3 171
 None
SF4  3 784 (-4.2A)
None
None
 0.65A 3aiaA-3i9v3:
undetectable		 3aiaA-3i9v3:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AMU_A_AG2A422_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 2vpw NRFC PROTEIN
(Thermus
thermophilus) 		4 / 5 GLU B  26
VAL B 132
CYH B 131
ARG B 122
 None
None
SF4  B1195 (-2.2A)
None
 0.87A 3amuA-2vpwB:
0.0		 3amuA-2vpwB:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_J_CHDJ60_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 6 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.38A 3asnA-3zxsA:
undetectable
3asnJ-3zxsA:
undetectable		 3asnA-3zxsA:
22.32
3asnJ-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_J_CHDJ60_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 6 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.38A 3asoA-3zxsA:
undetectable
3asoJ-3zxsA:
undetectable		 3asoA-3zxsA:
22.32
3asoJ-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BA0_A_HAEA477_1
(MACROPHAGE
METALLOELASTASE)		 5xvd HYDROGENASE-2 SMALL
CHAIN
(Citrobacter
sp.
MGH106) 		3 / 3 HIS S 194
GLU S 193
HIS S 192
 None
None
SF4  S 401 (-3.2A)
 0.83A 3ba0A-5xvdS:
undetectable		 3ba0A-5xvdS:
11.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BA0_A_HAEA477_1
(MACROPHAGE
METALLOELASTASE)		 6en9 HYDROGENASE-2 SMALL
CHAIN
(Escherichia
coli) 		3 / 3 HIS S 194
GLU S 193
HIS S 192
 None
None
SF4  S 301 (-3.1A)
 0.83A 3ba0A-6en9S:
undetectable		 3ba0A-6en9S:
14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 12 LEU G   5
ALA G  21
GLY G  62
THR F  57
ILE G  76
 SF4  G 102 ( 4.6A)
None
SF4  G 102 (-4.3A)
None
SF4  G 101 ( 3.8A)
 1.07A 3c6gA-5t5iG:
undetectable		 3c6gA-5t5iG:
9.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CB8_A_SAMA501_0
(PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME)		 3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME
(Escherichia
coli) 		5 / 12 TYR A  35
HIS A  37
LYS A 131
VAL A 168
TYR A 201
 None
MT2  A 501 (-4.2A)
SF4  A 500 (-3.7A)
None
None
 0.74A 3cb8A-3c8fA:
38.0		 3cb8A-3c8fA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CB8_A_SAMA501_0
(PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME)		 3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME
(Escherichia
coli) 		7 / 12 TYR A  35
SER A  76
ASP A 104
LYS A 131
ARG A 166
VAL A 168
TYR A 201
 None
MT2  A 501 ( 4.0A)
MT2  A 501 (-4.2A)
SF4  A 500 (-3.7A)
MT2  A 501 (-3.1A)
None
None
 1.00A 3cb8A-3c8fA:
38.0		 3cb8A-3c8fA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CB8_A_SAMA501_0
(PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME)		 3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME
(Escherichia
coli) 		7 / 12 TYR A  35
SER A  76
GLU A  79
ASP A 104
LYS A 131
VAL A 168
TYR A 201
 None
MT2  A 501 ( 4.0A)
None
MT2  A 501 (-4.2A)
SF4  A 500 (-3.7A)
None
None
 0.58A 3cb8A-3c8fA:
38.0		 3cb8A-3c8fA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CB8_A_SAMA501_0
(PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME)		 3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME
(Escherichia
coli) 		6 / 12 TYR A  35
SER A  76
GLU A  79
LYS A 131
VAL A 168
LEU A 199
 None
MT2  A 501 ( 4.0A)
None
SF4  A 500 (-3.7A)
None
None
 0.94A 3cb8A-3c8fA:
38.0		 3cb8A-3c8fA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CB8_A_SAMA501_0
(PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		5 / 12 TYR A  21
GLU A  67
ASN A 100
VAL A 165
TYR A 207
 SAM  A 504 (-4.6A)
SAM  A 504 (-4.1A)
SF4  A 503 ( 4.2A)
SAM  A 504 (-4.7A)
None
 1.19A 3cb8A-4k37A:
12.8		 3cb8A-4k37A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CKK_A_SAMA301_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		 1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 462
ILE A 460
ALA A 468
LEU A 425
THR A  81
 SF4  A 556 (-3.1A)
None
None
SRM  A 569 (-4.2A)
None
 1.15A 3ckkA-1zj9A:
undetectable		 3ckkA-1zj9A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		3 / 3 CYH B 105
HIS B 103
PHE B 104
 SF4  B 301 (-2.3A)
SF4  B 301 (-3.2A)
None
 1.23A 3cr4X-5xfaB:
undetectable		 3cr4X-5xfaB:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CR5_X_PNTX94_0
(PROTEIN S100-B)		 5exk LIPOYL SYNTHASE
(Mycobacterium
tuberculosis) 		3 / 3 PHE A 195
CYH A  85
PHE A  87
 MET  A 404 ( 4.4A)
SF4  A 402 ( 2.3A)
SF4  A 402 ( 4.6A)
 1.08A 3cr5X-5exkA:
undetectable		 3cr5X-5exkA:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CYX_A_ROCA201_1
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 3cyxA-2ynmA:
undetectable		 3cyxA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.94A 3d1xB-2ynmA:
undetectable		 3d1xB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Y_A_ROCA201_2
(HIV-1 PROTEASE)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 9 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.02A 3d1yB-5t5iG:
undetectable		 3d1yB-5t5iG:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D1Z_B_017B201_1
(HIV-1 PROTEASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 12 ILE L 122
GLY L  98
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.5A)
None
None
SF4  L 501 ( 4.4A)
 1.03A 3d1zA-5jfcL:
undetectable		 3d1zA-5jfcL:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCM_X_SAMX5452_0
(UNCHARACTERIZED
PROTEIN TM_1570)		 5xmj SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT
(Desulfovibrio
gigas) 		6 / 11 ALA B 164
GLY B 155
SER B 175
VAL B 174
ARG B 178
ALA B 173
 None
SF4  B 302 ( 4.9A)
None
SF4  B 302 (-4.8A)
None
F3S  B 301 ( 3.9A)
 1.43A 3dcmX-5xmjB:
undetectable		 3dcmX-5xmjB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 LEU A  67
GLY A 154
PHE A 158
ALA A  76
LEU A 142
 None
None
None
None
SF4  A1027 (-4.0A)
 1.09A 3dh0B-1h7wA:
3.2		 3dh0B-1h7wA:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E7I_B_H4BB2902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 429
ILE A 349
TRP A 442
 None
SF4  A 801 (-4.1A)
None
 1.14A 3e7iB-3k30A:
undetectable		 3e7iB-3k30A:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_D_SAMD300_0
(PUTATIVE RRNA
METHYLASE)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
(Methanothermobac
ter
marburgensis) 		5 / 12 GLY B 207
ILE B 254
GLY B 170
LEU B 235
THR B 232
 SF4  B1275 ( 4.0A)
SF4  B1275 ( 4.6A)
None
SF4  B1275 (-3.7A)
SF4  B1275 (-3.4A)
 1.18A 3eeyD-4ci0B:
undetectable		 3eeyD-4ci0B:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
(Methanothermobac
ter
marburgensis) 		5 / 12 GLY B 207
ILE B 254
GLY B 170
LEU B 235
THR B 232
 SF4  B1275 ( 4.0A)
SF4  B1275 ( 4.6A)
None
SF4  B1275 (-3.7A)
SF4  B1275 (-3.4A)
 1.12A 3eeyJ-4ci0B:
undetectable		 3eeyJ-4ci0B:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A
(Thermotoga
maritima) 		5 / 12 ILE B 442
GLU B 117
GLU B 196
PRO B 189
LEU B 179
 SF4  B 502 ( 4.2A)
SF4  B 502 (-2.5A)
None
None
None
 1.42A 3eigA-4yryB:
undetectable		 3eigA-4yryB:
15.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 12 ILE L 453
GLU L 126
GLU L 210
PRO L 203
LEU L 193
 SF4  L 501 ( 4.4A)
SF4  L 501 (-2.3A)
None
None
None
 1.29A 3eigA-5jfcL:
undetectable		 3eigA-5jfcL:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKP_C_478C200_1
(PROTEASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
(Thermus
thermophilus) 		6 / 10 LEU 3 617
ASP 3 348
GLY 3 294
ILE 3 290
PRO 3 407
ALA 3 406
 None
None
SF4  3 786 (-3.4A)
SF4  3 786 ( 4.1A)
SF4  3 786 (-3.7A)
None
 1.44A 3ekpC-3i9v3:
undetectable		 3ekpC-3i9v3:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKQ_A_ROCA100_1
(PROTEASE)		 4rh0 SPORE PHOTOPRODUCT
LYASE
(Geobacillus
thermodenitrific
ans) 		5 / 12 GLY A  92
ILE A 144
VAL A 145
GLY A 146
ILE A 109
 SF4  A 409 ( 4.0A)
None
None
None
None
 0.87A 3ekqA-4rh0A:
undetectable		 3ekqA-4rh0A:
12.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKW_B_DR7B100_1
(PROTEASE)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 10 ALA A  72
ILE A 150
GLY A 153
ALA A 112
ILE A 104
 None
SF4  A1027 (-3.8A)
SF4  A1026 ( 3.9A)
None
None
 0.98A 3ekwA-1h7wA:
undetectable		 3ekwA-1h7wA:
7.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKY_A_DR7A100_2
(PROTEASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 9 ILE L 122
GLY L  98
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.5A)
None
None
SF4  L 501 ( 4.4A)
 1.14A 3ekyB-5jfcL:
undetectable		 3ekyB-5jfcL:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKY_A_DR7A100_2
(PROTEASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 9 ILE A 122
GLY A  98
PRO A  57
VAL A  58
ILE A  60
 SF4  A 501 ( 4.7A)
SF4  A 501 ( 4.4A)
None
None
SF4  A 501 ( 4.6A)
 1.18A 3ekyB-5vj7A:
undetectable		 3ekyB-5vj7A:
12.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL1_A_DR7A100_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 3el1A-2ynmA:
undetectable		 3el1A-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
GAMMA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 ILE B 199
THR B 266
PHE B  75
PHE C  45
 SF4  B1357 (-4.4A)
SF4  B1357 ( 4.6A)
None
None
 1.01A 3elzB-2ivfB:
undetectable		 3elzB-2ivfB:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		4 / 5 PRO A 237
VAL A 240
THR A 132
GLY A 153
 None
None
SF4  A1026 ( 4.8A)
SF4  A1026 ( 3.9A)
 0.96A 3elzB-1h7wA:
0.0		 3elzB-1h7wA:
10.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM3_B_478B200_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 10 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 3em3B-2ynmA:
undetectable		 3em3B-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_V_DR7V100_2
(PROTEASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		6 / 10 ILE L 122
GLY L 123
GLY L  98
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.2A)
SF4  L 501 ( 4.5A)
None
None
SF4  L 501 ( 4.4A)
 1.09A 3em4V-5jfcL:
undetectable		 3em4V-5jfcL:
12.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_V_DR7V100_2
(PROTEASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		6 / 10 ILE A 122
GLY A 123
GLY A  98
PRO A  57
VAL A  58
ILE A  60
 SF4  A 501 ( 4.7A)
SF4  A 501 ( 4.3A)
SF4  A 501 ( 4.4A)
None
None
SF4  A 501 ( 4.6A)
 1.13A 3em4V-5vj7A:
undetectable		 3em4V-5vj7A:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM6_A_017A200_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.91A 3em6B-2ynmA:
undetectable		 3em6B-2ynmA:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EMB_A_SAMA4633_0
(METHYLTRANSFERASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
 1.04A 3embA-1e08A:
undetectable		 3embA-1e08A:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FC6_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 12 CYH B 154
ALA B 156
ALA B 157
LEU B  93
ALA B  94
 SF4  B 246 (-2.2A)
None
None
None
None
 0.98A 3fc6C-3cirB:
undetectable		 3fc6C-3cirB:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
BETA
F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
(Methanothermobac
ter
marburgensis) 		5 / 11 ALA C 101
ASN C 137
VAL C  82
ILE B 221
THR C  99
 None
SF4  C1282 ( 3.7A)
None
SF4  C1282 ( 3.6A)
None
 1.34A 3fl9C-4ci0C:
undetectable		 3fl9C-4ci0C:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FPJ_A_SAMA301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Thermosynechococ
cus
elongatus) 		4 / 6 TYR A  18
GLY A 138
THR A  20
GLU A 110
 None
SF4  A 602 (-3.6A)
None
None
 0.90A 3fpjA-2xdqA:
undetectable		 3fpjA-2xdqA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRQ_A_ERYA195_1
(REPRESSOR PROTEIN
MPHR(A))		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D
(Methanothermococ
cus
thermolithotroph
icus;
Methanothermococ
cus
thermolithotroph
icus) 		4 / 5 ARG A 100
ASN A  98
HIS A 102
ALA D  21
 SF4  A 705 (-4.1A)
None
None
None
 1.26A 3frqA-5odrA:
undetectable		 3frqA-5odrA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FRQ_B_ERYB195_1
(REPRESSOR PROTEIN
MPHR(A))		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D
(Methanothermococ
cus
thermolithotroph
icus;
Methanothermococ
cus
thermolithotroph
icus) 		4 / 7 ARG A 100
ASN A  98
HIS A 102
ALA D  21
 SF4  A 705 (-4.1A)
None
None
None
 1.28A 3frqB-5odrA:
undetectable		 3frqB-5odrA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWX_A_EPAA1_2
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 6g2j NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 1,
MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
4, MITOCHONDRIAL
(Mus
musculus) 		5 / 12 CYH F 405
THR F 403
ILE F 185
LEU F 205
TYR Q 118
 SF4  F 502 (-2.2A)
SF4  F 502 ( 4.0A)
SF4  F 502 ( 4.2A)
None
None
 1.11A 3gwxA-6g2jF:
undetectable		 3gwxA-6g2jF:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 2n0s FE-HYDROGENASE
(Chlamydomonas
reinhardtii) 		3 / 3 MET A 183
CYH A 377
PRO A 131
 None
SF4  A 501 (-2.6A)
SF4  A 501 (-4.3A)
 1.24A 3h52C-2n0sA:
undetectable		 3h52C-2n0sA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 2vpw NRFC PROTEIN
(Thermus
thermophilus) 		3 / 3 MET B   6
CYH B 135
PRO B  55
 None
SF4  B1194 (-2.7A)
SF4  B1194 ( 4.9A)
 1.22A 3h52C-2vpwB:
undetectable		 3h52C-2vpwB:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
(Bos
taurus) 		3 / 3 MET D 111
CYH B  54
PRO B 150
 None
SF4  B 201 (-2.2A)
SF4  B 201 (-4.1A)
 1.34A 3h52C-5lc5D:
undetectable		 3h52C-5lc5D:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 6cza -
(-) 		3 / 3 MET B   5
CYH B 183
PRO B  54
 None
SF4  B 301 (-2.3A)
SF4  B 301 ( 4.8A)
 1.17A 3h52C-6czaB:
undetectable		 3h52C-6czaB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE
(Rhodothermus
marinus) 		3 / 3 MET B 800
CYH B 980
PRO B 862
 SF4  B1103 ( 4.7A)
SF4  B1104 (-2.2A)
None
 1.14A 3h52C-6f0kB:
undetectable		 3h52C-6f0kB:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4gd3 HYDROGENASE-1 SMALL
CHAIN
(Escherichia
coli) 		5 / 9 VAL S 146
ALA S 253
ILE S 186
THR S 233
SER S 232
 None
SF4  S 402 ( 4.4A)
SF4  S 402 ( 4.9A)
None
None
 1.35A 3hbbB-4gd3S:
undetectable		 3hbbB-4gd3S:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 LEU B  19
LEU B 213
ARG B 217
 None
SF4  B1359 (-4.5A)
None
 0.75A 3hcnB-2ivfB:
undetectable		 3hcnB-2ivfB:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1su7 CARBON MONOXIDE
DEHYDROGENASE 2
(Carboxydothermus
hydrogenoformans) 		4 / 7 LEU A 209
ARG A  80
PRO A 584
GLY A  45
 None
SF4  A 637 (-3.8A)
None
None
 0.93A 3hcrB-1su7A:
4.2		 3hcrB-1su7A:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6dd6 PHOTOLYASE PHRB
(Agrobacterium
tumefaciens) 		5 / 12 ALA A 380
PHE A 456
SER A 427
THR A 346
TYR A 341
 None
SF4  A 603 ( 4.9A)
None
None
None
 1.16A 3hj3A-6dd6A:
2.8		 3hj3A-6dd6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_C_MTXC613_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 6dd6 PHOTOLYASE PHRB
(Agrobacterium
tumefaciens) 		5 / 12 ALA A 380
PHE A 456
SER A 427
THR A 346
TYR A 341
 None
SF4  A 603 ( 4.9A)
None
None
None
 1.13A 3hj3C-6dd6A:
undetectable		 3hj3C-6dd6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HZN_G_ACTG225_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 2fgo FERREDOXIN
(Pseudomonas
aeruginosa) 		3 / 3 PRO A  59
LEU A   2
GLN A  50
 None
SF4  A 202 (-4.3A)
None
 0.70A 3hznG-2fgoA:
undetectable
3hznH-2fgoA:
undetectable		 3hznG-2fgoA:
14.71
3hznH-2fgoA:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		4 / 4 ILE B 184
ARG B  81
ILE B  34
THR B 178
 SF4  B 805 (-4.8A)
None
None
None
 1.08A 3ia4C-1kqgB:
undetectable		 3ia4C-1kqgB:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9
(Thermus
thermophilus) 		4 / 4 ILE 7  41
ARG 3 241
ILE 9  54
THR 7  53
 None
None
SF4  9 184 (-4.5A)
None
 1.28A 3ia4C-3i9v7:
undetectable		 3ia4C-3i9v7:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IB1_A_IMNA701_1
(LACTOTRANSFERRIN)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus) 		4 / 4 PRO E  39
THR E   6
GLY E  83
THR E  84
 None
None
SF4  E 302 ( 4.2A)
SF4  E 302 (-4.6A)
 1.07A 3ib1A-5odrE:
undetectable		 3ib1A-5odrE:
21.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3IIZ_A_SAMA1501_0
(BIOTIN SYNTHETASE,
PUTATIVE)		 4jxc FEFE-HYDROGENASE
MATURASE
(Thermotoga
maritima) 		12 / 12 TYR A  69
CYH A  70
GLN A 107
SER A 136
GLY A 138
ARG A 159
ARG A 180
MET A 199
ILE A 231
TYR A 303
LEU A 305
TYR A 306
 SAM  A 402 (-4.6A)
SF4  A 401 (-2.2A)
SAM  A 402 ( 3.8A)
SAM  A 402 (-3.9A)
SAM  A 402 (-3.8A)
SAM  A 402 ( 4.2A)
SAM  A 402 (-3.3A)
SAM  A 402 (-3.5A)
SAM  A 402 (-4.4A)
None
SAM  A 402 (-3.3A)
SAM  A 402 ( 4.6A)
 0.23A 3iizA-4jxcA:
64.8		 3iizA-4jxcA:
99.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_C_SAMC301_1
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
(Cupriavidus
necator) 		3 / 3 SER A  38
ASP A  35
ASP A 191
 None
SF4  A 503 (-2.2A)
None
 0.93A 3iv6C-5aa5A:
undetectable		 3iv6C-5aa5A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JVY_B_017B401_1
(GAG-POL POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.93A 3jvyA-2ynmA:
undetectable		 3jvyA-2ynmA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.02A 3k4vC-2ynmA:
undetectable		 3k4vC-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 12 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.03A 3k4vC-5t5iG:
undetectable		 3k4vC-5t5iG:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_3
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.94A 3k4vD-2ynmA:
undetectable		 3k4vD-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_A_30BA500_1
(GENOME POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 GLY C 136
GLY C 101
SER C 133
ALA C 148
ASP C 146
 SF4  C1413 ( 3.8A)
None
None
None
None
 1.11A 3keeA-2ynmC:
undetectable		 3keeA-2ynmC:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_D_30BD500_1
(GENOME POLYPROTEIN)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 GLY C 136
GLY C 101
SER C 133
ALA C 148
ASP C 146
 SF4  C1413 ( 3.8A)
None
None
None
None
 1.12A 3keeD-2ynmC:
undetectable		 3keeD-2ynmC:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
(Desulfomicrobium
norvegicum) 		5 / 12 GLY A 220
GLY A 238
PHE A 218
SER A 176
ALA A 186
 SF4  A 502 (-3.5A)
None
None
None
SF4  A 502 (-3.8A)
 1.14A 3kkzA-2xsjA:
undetectable		 3kkzA-2xsjA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 3or2 SULFITE REDCUTASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		5 / 12 GLY A 220
GLY A 238
PHE A 218
SER A 176
ALA A 186
 SF4  A 802 (-3.2A)
None
None
None
SF4  A 802 (-3.6A)
 1.14A 3kkzA-3or2A:
undetectable		 3kkzA-3or2A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_A_TFPA201_1
(PROTEIN S100-A4)		 5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
(Cupriavidus
necator) 		5 / 9 GLY A  31
PHE C  75
PHE A 300
GLY A 150
PHE A 293
 SF4  A 503 (-3.5A)
None
None
None
None
 1.22A 3ko0A-5aa5A:
undetectable
3ko0C-5aa5A:
undetectable		 3ko0A-5aa5A:
16.41
3ko0C-5aa5A:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_A_TFPA201_1
(PROTEIN S100-A4)		 6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE
(Rhodothermus
marinus) 		5 / 9 GLY B 298
ILE B 842
CYH B 813
GLY B 257
PHE B 263
 None
SF4  B1104 (-4.6A)
SF4  B1104 (-2.2A)
None
None
 1.17A 3ko0A-6f0kB:
undetectable
3ko0C-6f0kB:
undetectable		 3ko0A-6f0kB:
20.79
3ko0C-6f0kB:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_G_TFPG201_1
(PROTEIN S100-A4)		 5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
(Cupriavidus
necator) 		5 / 9 GLY A 150
PHE A 293
GLY A  31
PHE C  75
PHE A 300
 None
None
SF4  A 503 (-3.5A)
None
None
 1.26A 3ko0F-5aa5A:
undetectable
3ko0G-5aa5A:
undetectable		 3ko0F-5aa5A:
16.41
3ko0G-5aa5A:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_G_TFPG201_1
(PROTEIN S100-A4)		 5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
(Cupriavidus
necator) 		5 / 9 GLY A 150
PHE A 293
GLY A  97
PHE C  75
PHE A 300
 None
None
SF4  A 503 ( 4.3A)
None
None
 1.34A 3ko0F-5aa5A:
undetectable
3ko0G-5aa5A:
undetectable		 3ko0F-5aa5A:
16.41
3ko0G-5aa5A:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_I_TFPI201_1
(PROTEIN S100-A4)		 5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
(Cupriavidus
necator) 		5 / 9 GLY A 150
PRO A 294
GLY A  31
PHE C  75
PHE A 300
 None
None
SF4  A 503 (-3.5A)
None
None
 1.19A 3ko0H-5aa5A:
undetectable
3ko0I-5aa5A:
undetectable		 3ko0H-5aa5A:
16.41
3ko0I-5aa5A:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_I_TFPI201_1
(PROTEIN S100-A4)		 5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
(Cupriavidus
necator) 		5 / 9 GLY A 150
PRO A 294
GLY A  97
PHE C  75
PHE A 300
 None
None
SF4  A 503 ( 4.3A)
None
None
 1.23A 3ko0H-5aa5A:
undetectable
3ko0I-5aa5A:
undetectable		 3ko0H-5aa5A:
16.41
3ko0I-5aa5A:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_K_TFPK201_1
(PROTEIN S100-A4)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT
(Allochromatium
vinosum) 		4 / 8 GLY A  76
ILE B1041
PHE A 263
PHE A 257
 SF4  A2001 ( 4.6A)
None
None
None
 0.95A 3ko0K-3myrA:
undetectable
3ko0S-3myrA:
undetectable		 3ko0K-3myrA:
17.52
3ko0S-3myrA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_O_TFPO201_1
(PROTEIN S100-A4)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 GLY A 130
PHE A 671
PHE A 762
GLY A  80
 SF4  A1984 (-3.6A)
None
None
None
 0.99A 3ko0O-2ivfA:
undetectable
3ko0Q-2ivfA:
undetectable		 3ko0O-2ivfA:
8.10
3ko0Q-2ivfA:
8.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_R_TFPR201_1
(PROTEIN S100-A4)		 6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE
(Rhodothermus
marinus) 		5 / 10 GLY B 298
ILE B 842
CYH B 813
GLY B 257
PHE B 263
 None
SF4  B1104 (-4.6A)
SF4  B1104 (-2.2A)
None
None
 1.23A 3ko0R-6f0kB:
undetectable
3ko0T-6f0kB:
undetectable		 3ko0R-6f0kB:
20.79
3ko0T-6f0kB:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KU1_G_SAMG226_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 3cir FUMARATE REDUCTASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 12 GLY B 152
PRO B  73
GLY B  63
ALA B 171
ILE B 149
 SF4  B 246 (-4.2A)
None
FES  B 244 (-3.7A)
SF4  B 246 ( 3.8A)
SF4  B 246 (-4.9A)
 1.12A 3ku1G-3cirB:
undetectable		 3ku1G-3cirB:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LCV_B_SAMB301_0
(SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM)		 2wp9 SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 12 PHE B 162
SER B 156
ASP B 199
LEU B 197
LEU B 176
 None
None
None
None
SF4  B 303 ( 4.7A)
 1.15A 3lcvB-2wp9B:
undetectable		 3lcvB-2wp9B:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		4 / 8 LEU A  78
LEU A 101
SER A 126
ASN A 104
 None
None
SAM  A1501 ( 2.4A)
SF4  A1401 ( 4.4A)
 0.94A 3lm8A-1tv8A:
undetectable
3lm8C-1tv8A:
2.0		 3lm8A-1tv8A:
22.66
3lm8C-1tv8A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_B_P77B204_1
(PROTEIN S100-A4)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		4 / 6 CYH A 316
GLU A 318
PHE A 527
PHE A 473
 None
None
SF4  A 601 ( 4.5A)
None
 1.37A 3m0wB-5xfaA:
undetectable
3m0wJ-5xfaA:
undetectable		 3m0wB-5xfaA:
9.22
3m0wJ-5xfaA:
9.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
(Desulfomicrobium
norvegicum) 		6 / 12 VAL A 226
GLY A 220
ARG A 323
ILE A 358
TYR A 355
LEU A 193
 None
SF4  A 502 (-3.5A)
None
None
None
None
 1.44A 3mb5A-2xsjA:
undetectable		 3mb5A-2xsjA:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_V_BO2V1401_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		 3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
(Allochromatium
vinosum) 		5 / 11 SER A  77
GLN A 123
ALA A 131
GLY A 113
THR A 114
 None
None
None
SF4  A2001 (-3.6A)
None
 1.14A 3mg0V-3myrA:
undetectable
3mg0W-3myrA:
undetectable		 3mg0V-3myrA:
19.32
3mg0W-3myrA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.02A 3mwsB-2ynmA:
undetectable		 3mwsB-2ynmA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_A_ROCA101_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.92A 3nduA-2ynmA:
undetectable		 3nduA-2ynmA:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_A_ROCA101_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 3nduB-2ynmA:
undetectable		 3nduB-2ynmA:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_D_ROCD100_1
(PROTEASE)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 12 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.04A 3nduC-5t5iG:
undetectable		 3nduC-5t5iG:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_D_ROCD100_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.93A 3nduD-2ynmA:
undetectable		 3nduD-2ynmA:
18.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_D_ROCD100_2
(PROTEASE)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 12 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 0.96A 3nduD-5t5iG:
undetectable		 3nduD-5t5iG:
24.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDU_D_ROCD100_3
(PROTEASE)		 2jir PERIPLASMIC NITRATE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ARG A 617
VAL A 183
THR A  18
 MGD  A 811 (-3.2A)
SF4  A 800 (-4.2A)
SF4  A 800 ( 3.8A)
 0.81A 3nduD-2jirA:
2.4		 3nduD-2jirA:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU3_B_478B401_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.89A 3nu3A-2ynmA:
undetectable		 3nu3A-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU4_B_478B401_2
(PROTEASE)		 3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT
(Methanosarcina
barkeri) 		5 / 9 ALA A 436
ASP A 432
ILE A 431
ILE A 469
ILE A 451
 None
None
SF4  A 813 ( 4.3A)
SF4  A 814 ( 4.4A)
None
 0.87A 3nu4B-3cf4A:
undetectable		 3nu4B-3cf4A:
9.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU6_B_478B401_1
(PROTEASE)		 4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A
(Thermotoga
maritima) 		5 / 10 ILE B 113
GLY B  87
PRO B  52
VAL B  53
ILE B  55
 SF4  B 502 ( 4.8A)
None
SF4  B 502 ( 4.9A)
None
SF4  B 502 ( 4.4A)
 0.99A 3nu6A-4yryB:
undetectable		 3nu6A-4yryB:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NU6_B_478B401_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 10 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.04A 3nu6B-2ynmA:
undetectable		 3nu6B-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NUO_B_478B478_1
(PROTEASE)		 4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A
(Thermotoga
maritima) 		5 / 9 ILE B 113
GLY B  87
PRO B  52
VAL B  53
ILE B  55
 SF4  B 502 ( 4.8A)
None
SF4  B 502 ( 4.9A)
None
SF4  B 502 ( 4.4A)
 1.02A 3nuoA-4yryB:
undetectable		 3nuoA-4yryB:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NUO_B_478B478_1
(PROTEASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 9 ILE L 122
GLY L  98
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.5A)
None
None
SF4  L 501 ( 4.4A)
 1.05A 3nuoA-5jfcL:
undetectable		 3nuoA-5jfcL:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NUO_B_478B478_1
(PROTEASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 9 ILE A 122
GLY A  98
PRO A  57
VAL A  58
ILE A  60
 SF4  A 501 ( 4.7A)
SF4  A 501 ( 4.4A)
None
None
SF4  A 501 ( 4.6A)
 1.09A 3nuoA-5vj7A:
undetectable		 3nuoA-5vj7A:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NW2_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 429
ILE A 349
TRP A 442
 None
SF4  A 801 (-4.1A)
None
 1.03A 3nw2A-3k30A:
undetectable		 3nw2A-3k30A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NW2_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3k30 HISTAMINE
DEHYDROGENASE
(Pimelobacter
simplex) 		3 / 3 ARG A 429
ILE A 349
TRP A 442
 None
SF4  A 801 (-4.1A)
None
 1.12A 3nw2B-3k30A:
undetectable		 3nw2B-3k30A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		 1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE
(Bacillus
subtilis) 		4 / 5 ILE A 378
ARG A 178
THR A 388
GLU A 239
 None
None
SF4  A 466 ( 4.1A)
None
 1.37A 3ny4A-1ao0A:
0.0		 3ny4A-1ao0A:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU6_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL
(Bos
taurus;
Bos
taurus) 		5 / 12 LEU D 106
ALA B  53
GLY D 426
LEU D  83
ALA B  89
 None
SF4  B 201 (-3.3A)
None
None
None
 1.24A 3ou6C-5lc5D:
undetectable		 3ou6C-5lc5D:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 5lc5 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
2, MITOCHONDRIAL
(Bos
taurus;
Bos
taurus) 		5 / 12 LEU D 106
ALA B  53
GLY D 426
LEU D  83
ALA B  89
 None
SF4  B 201 (-3.3A)
None
None
None
 1.26A 3ou7C-5lc5D:
undetectable		 3ou7C-5lc5D:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 9 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.94A 3oxvA-2ynmA:
undetectable		 3oxvA-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 10 ILE L 122
GLY L  98
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.5A)
None
None
SF4  L 501 ( 4.4A)
 1.04A 3oxvB-5jfcL:
undetectable		 3oxvB-5jfcL:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 10 ILE A 122
GLY A  98
PRO A  57
VAL A  58
ILE A  60
 SF4  A 501 ( 4.7A)
SF4  A 501 ( 4.4A)
None
None
SF4  A 501 ( 4.6A)
 1.09A 3oxvB-5vj7A:
undetectable		 3oxvB-5vj7A:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A
(Thermotoga
maritima) 		5 / 11 ILE B 113
VAL B  89
PRO B  52
VAL B  53
ILE B  55
 SF4  B 502 ( 4.8A)
FAD  B 503 (-4.1A)
SF4  B 502 ( 4.9A)
None
SF4  B 502 ( 4.4A)
 1.00A 3oxvD-4yryB:
undetectable		 3oxvD-4yryB:
14.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 11 ILE L 122
GLY L  98
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.5A)
None
None
SF4  L 501 ( 4.4A)
 1.07A 3oxvD-5jfcL:
undetectable		 3oxvD-5jfcL:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 11 ILE L 122
VAL L 100
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
FAD  L 503 (-3.9A)
None
None
SF4  L 501 ( 4.4A)
 0.99A 3oxvD-5jfcL:
undetectable		 3oxvD-5jfcL:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 10 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.97A 3oxwD-2ynmA:
undetectable		 3oxwD-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXX_C_DR7C100_1
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 3oxxC-2ynmA:
undetectable		 3oxxC-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXX_C_DR7C100_2
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.99A 3oxxD-2ynmA:
undetectable		 3oxxD-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXX_C_DR7C100_2
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.97A 3oxxD-2ynmA:
undetectable		 3oxxD-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OY4_B_017B200_1
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.92A 3oy4A-2ynmA:
undetectable		 3oy4A-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P4W_C_DSFC320_1
(GLR4197 PROTEIN)		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT C
(Methanothermococ
cus
thermolithotroph
icus) 		4 / 8 ILE C  74
ILE C  97
VAL C  68
ILE C  58
 None
None
None
SF4  C 201 ( 4.8A)
 0.84A 3p4wC-5odrC:
undetectable		 3p4wC-5odrC:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P5N_A_RBFA190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		5 / 12 LEU B  74
GLY B  65
ALA B 191
ALA B 194
ASN B 189
 None
None
SF4  B 804 (-4.3A)
None
None
 1.14A 3p5nA-3egwB:
undetectable		 3p5nA-3egwB:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P5N_B_RBFB190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		5 / 12 LEU B  74
GLY B  65
ALA B 191
ALA B 194
ASN B 189
 None
None
SF4  B 804 (-4.3A)
None
None
 1.14A 3p5nB-3egwB:
undetectable		 3p5nB-3egwB:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P97_A_SAMA263_0
(NON-STRUCTURAL
PROTEIN 5)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.11A 3p97A-1e08A:
undetectable		 3p97A-1e08A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P97_C_SAMC263_0
(NON-STRUCTURAL
PROTEIN 5)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.14A 3p97C-1e08A:
undetectable		 3p97C-1e08A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P97_C_SAMC263_0
(NON-STRUCTURAL
PROTEIN 5)		 5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
(Cupriavidus
necator;
Cupriavidus
necator) 		6 / 12 GLY A  29
GLY A  34
GLY A  97
ASP C  86
VAL C 205
ASP A  33
 None
SF4  A 503 ( 3.8A)
SF4  A 503 ( 4.3A)
None
None
None
 1.42A 3p97C-5aa5A:
undetectable		 3p97C-5aa5A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PRS_A_RITA1001_1
(ENDOTHIAPEPSIN)		 1oa1 HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
vulgaris) 		5 / 10 ALA A  73
ILE A  84
ILE A 152
THR A  71
ILE A 136
 None
None
None
SF4  A1554 (-3.1A)
None
 1.25A 3prsA-1oa1A:
0.0		 3prsA-1oa1A:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PRS_A_RITA1001_1
(ENDOTHIAPEPSIN)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
(Methanothermobac
ter
sp.
CaT2) 		5 / 10 ILE B 341
ASP B 414
ALA B 342
THR B 257
ILE B  37
 None
MGD  B 503 (-3.0A)
MGD  B 503 (-3.4A)
None
SF4  B 501 (-4.5A)
 1.16A 3prsA-5t5iB:
undetectable		 3prsA-5t5iB:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWM_B_017B402_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.91A 3pwmA-2ynmA:
undetectable		 3pwmA-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWR_A_ROCA401_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 3pwrA-2ynmA:
undetectable		 3pwrA-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWR_A_ROCA401_1
(PROTEASE)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 12 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.01A 3pwrA-5t5iG:
undetectable		 3pwrA-5t5iG:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PWR_A_ROCA401_3
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.94A 3pwrB-2ynmA:
undetectable		 3pwrB-2ynmA:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QEL_D_QELD2_2
(GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii) 		5 / 9 ALA G  26
ILE G  20
PHE B 166
THR F 321
PRO F 319
 None
None
None
K  F 410 (-4.7A)
SF4  G 102 ( 4.8A)
 1.43A 3qelD-5t5iG:
undetectable		 3qelD-5t5iG:
12.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXV_D_MTXD2000_2
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 4rqo L-SERINE DEHYDRATASE
(Legionella
pneumophila) 		3 / 3 LEU A 236
ARG A 399
ASN A 279
 None
SF4  A 500 ( 4.6A)
None
 0.65A 3qxvD-4rqoA:
undetectable		 3qxvD-4rqoA:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R55_A_PZAA598_0
(LACTOPEROXIDASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		3 / 3 GLU A 106
PHE A  94
GLN B 229
 None
SF4  A1984 (-4.6A)
None
 1.03A 3r55A-2ivfA:
undetectable		 3r55A-2ivfA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9V_B_DXCB1_0
(INVASIN IPAD)		 3a05 TRYPTOPHANYL-TRNA
SYNTHETASE
(Aeropyrum
pernix) 		5 / 7 LEU A 268
LEU A 345
HIS A  84
VAL A 305
SER A 304
 None
None
None
SF4  A 373 ( 4.3A)
None
 1.50A 3r9vA-3a05A:
undetectable
3r9vB-3a05A:
undetectable		 3r9vA-3a05A:
21.67
3r9vB-3a05A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		5 / 12 CYH A  19
GLU A  67
PRO A  68
VAL A 165
ILE A 192
 SF4  A 503 (-2.3A)
SAM  A 504 (-4.1A)
None
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
 1.44A 3rfaA-4k37A:
7.9		 3rfaA-4k37A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		5 / 12 CYH A  22
GLU A  67
PRO A  68
VAL A 165
ILE A 192
 SF4  A 503 ( 2.2A)
SAM  A 504 (-4.1A)
None
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
 0.47A 3rfaA-4k37A:
7.9		 3rfaA-4k37A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		5 / 12 PHE A  48
CYH A  49
GLU A  93
PRO A  94
VAL A 151
 SAM  A 302 (-4.8A)
SF4  A 301 ( 2.2A)
SAM  A 302 (-4.2A)
None
SAM  A 302 (-4.5A)
 0.65A 3rfaA-4njiA:
2.8		 3rfaA-4njiA:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		8 / 12 PHE B 131
CYH B 132
GLU B 180
PRO B 181
HIS B 235
VAL B 280
ILE B 309
TRP B 311
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
SF4  B 401 ( 4.8A)
None
None
None
None
None
 0.59A 3rfaA-4pl2B:
52.4		 3rfaA-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		7 / 12 PHE B 131
CYH B 132
HIS B 235
GLU B 278
VAL B 280
ILE B 309
TRP B 311
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
None
None
None
None
 0.89A 3rfaA-4pl2B:
52.4		 3rfaA-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		8 / 12 PHE B 131
CYH B 132
MET B 176
GLU B 180
PRO B 181
HIS B 235
VAL B 280
ILE B 309
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
SF4  B 401 ( 4.8A)
None
None
None
None
 0.75A 3rfaA-4pl2B:
52.4		 3rfaA-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		7 / 12 PHE B 131
CYH B 132
MET B 176
GLU B 180
PRO B 181
SER B 213
ILE B 309
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
SF4  B 401 ( 4.8A)
None
SF4  B 401 (-3.1A)
None
 0.91A 3rfaA-4pl2B:
52.4		 3rfaA-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		7 / 12 PHE B 131
CYH B 132
MET B 176
HIS B 235
GLU B 278
VAL B 280
ILE B 309
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
None
None
None
None
 1.04A 3rfaA-4pl2B:
52.4		 3rfaA-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 5hr6 RLMN METHYLASE
(Escherichia
coli) 		10 / 12 PHE A 131
CYH A 132
MET A 176
GLU A 180
PRO A 181
HIS A 235
VAL A 280
ILE A 309
TRP A 311
ASN A 312
 5AD  A 503 (-4.6A)
SF4  A 502 ( 2.2A)
A  C  37 ( 3.7A)
MET  A 501 (-4.0A)
MET  A 501 ( 4.9A)
5AD  A 503 (-3.7A)
5AD  A 503 (-4.8A)
5AD  A 503 (-4.1A)
5AD  A 503 (-4.0A)
SMC  A 355 (-3.7A)
 0.64A 3rfaA-5hr6A:
50.5		 3rfaA-5hr6A:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 5hr6 RLMN METHYLASE
(Escherichia
coli) 		10 / 12 PHE A 131
CYH A 132
MET A 176
GLU A 180
PRO A 181
SER A 213
HIS A 235
VAL A 280
TRP A 311
ASN A 312
 5AD  A 503 (-4.6A)
SF4  A 502 ( 2.2A)
A  C  37 ( 3.7A)
MET  A 501 (-4.0A)
MET  A 501 ( 4.9A)
MET  A 501 ( 3.3A)
5AD  A 503 (-3.7A)
5AD  A 503 (-4.8A)
5AD  A 503 (-4.0A)
SMC  A 355 (-3.7A)
 0.76A 3rfaA-5hr6A:
50.5		 3rfaA-5hr6A:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 5hr6 RLMN METHYLASE
(Escherichia
coli) 		9 / 12 PHE A 131
CYH A 132
MET A 176
HIS A 235
GLU A 278
VAL A 280
ILE A 309
TRP A 311
ASN A 312
 5AD  A 503 (-4.6A)
SF4  A 502 ( 2.2A)
A  C  37 ( 3.7A)
5AD  A 503 (-3.7A)
5AD  A 503 (-3.1A)
5AD  A 503 (-4.8A)
5AD  A 503 (-4.1A)
5AD  A 503 (-4.0A)
SMC  A 355 (-3.7A)
 0.92A 3rfaA-5hr6A:
50.5		 3rfaA-5hr6A:
99.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 5v1s RADICAL SAM
(Streptococcus
suis) 		5 / 12 PHE A 123
CYH A 124
GLU A 161
PRO A 162
VAL A 249
 SAM  A 604 (-4.8A)
SF4  A 601 ( 2.2A)
SAM  A 604 (-4.4A)
None
SAM  A 604 (-4.2A)
 0.41A 3rfaA-5v1sA:
7.9		 3rfaA-5v1sA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 12 CYH A  28
GLU A  76
PRO A  77
SER A 126
VAL A 167
 SF4  A1401 (-2.2A)
SAM  A1501 (-4.4A)
None
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
 1.45A 3rfaB-1tv8A:
8.0		 3rfaB-1tv8A:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 12 CYH A  31
GLU A  76
PRO A  77
SER A 126
VAL A 167
 SF4  A1401 (-2.3A)
SAM  A1501 (-4.4A)
None
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
 0.58A 3rfaB-1tv8A:
8.0		 3rfaB-1tv8A:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		5 / 12 CYH A  22
GLU A  67
PRO A  68
SER A 122
VAL A 165
 SF4  A 503 ( 2.2A)
SAM  A 504 (-4.1A)
None
SAM  A 504 (-2.5A)
SAM  A 504 (-4.7A)
 0.47A 3rfaB-4k37A:
4.3		 3rfaB-4k37A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		5 / 12 PHE A  48
CYH A  49
GLU A  93
PRO A  94
VAL A 151
 SAM  A 302 (-4.8A)
SF4  A 301 ( 2.2A)
SAM  A 302 (-4.2A)
None
SAM  A 302 (-4.5A)
 0.74A 3rfaB-4njiA:
7.5		 3rfaB-4njiA:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		8 / 12 PHE B 131
CYH B 132
GLU B 180
PRO B 181
SER B 211
HIS B 235
VAL B 280
TRP B 311
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
SF4  B 401 ( 4.8A)
None
None
None
None
None
 0.56A 3rfaB-4pl2B:
54.1		 3rfaB-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		7 / 12 PHE B 131
CYH B 132
MET B 176
GLU B 180
PRO B 181
SER B 211
SER B 213
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
SF4  B 401 ( 4.8A)
None
None
SF4  B 401 (-3.1A)
 0.92A 3rfaB-4pl2B:
54.1		 3rfaB-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		9 / 12 PHE B 131
CYH B 132
MET B 176
GLU B 180
PRO B 181
SER B 211
SER B 233
HIS B 235
VAL B 280
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
SF4  B 401 ( 4.8A)
None
None
SF4  B 401 ( 4.8A)
None
None
 0.76A 3rfaB-4pl2B:
54.1		 3rfaB-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 5hr6 RLMN METHYLASE
(Escherichia
coli) 		8 / 12 PHE A 131
CYH A 132
MET A 176
GLU A 180
PRO A 181
SER A 211
SER A 213
TRP A 311
 5AD  A 503 (-4.6A)
SF4  A 502 ( 2.2A)
A  C  37 ( 3.7A)
MET  A 501 (-4.0A)
MET  A 501 ( 4.9A)
MET  A 501 (-2.5A)
MET  A 501 ( 3.3A)
5AD  A 503 (-4.0A)
 0.58A 3rfaB-5hr6A:
52.8		 3rfaB-5hr6A:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 5hr6 RLMN METHYLASE
(Escherichia
coli) 		11 / 12 PHE A 131
CYH A 132
MET A 176
GLU A 180
PRO A 181
SER A 211
SER A 233
HIS A 235
VAL A 280
TRP A 311
ASN A 312
 5AD  A 503 (-4.6A)
SF4  A 502 ( 2.2A)
A  C  37 ( 3.7A)
MET  A 501 (-4.0A)
MET  A 501 ( 4.9A)
MET  A 501 (-2.5A)
MET  A 501 ( 2.6A)
5AD  A 503 (-3.7A)
5AD  A 503 (-4.8A)
5AD  A 503 (-4.0A)
SMC  A 355 (-3.7A)
 0.31A 3rfaB-5hr6A:
52.8		 3rfaB-5hr6A:
99.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 5v1s RADICAL SAM
(Streptococcus
suis) 		6 / 12 PHE A 123
CYH A 124
GLU A 161
PRO A 162
SER A 210
VAL A 249
 SAM  A 604 (-4.8A)
SF4  A 601 ( 2.2A)
SAM  A 604 (-4.4A)
None
SAM  A 604 (-2.4A)
SAM  A 604 (-4.2A)
 0.53A 3rfaB-5v1sA:
0.0		 3rfaB-5v1sA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2
(Mus
musculus) 		5 / 12 CYH A  91
GLU A 127
PRO A 128
SER A 180
VAL A 224
 SF4  A 401 ( 2.4A)
SAH  A 402 (-4.3A)
None
SAH  A 402 (-2.4A)
SAH  A 402 (-4.3A)
 0.52A 3rfaB-5vslA:
4.7		 3rfaB-5vslA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RFA_B_SAMB406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		 5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2
(Mus
musculus) 		5 / 12 PHE A  90
CYH A  91
PRO A 128
SER A 180
VAL A 224
 SAH  A 402 (-4.7A)
SF4  A 401 ( 2.4A)
None
SAH  A 402 (-2.4A)
SAH  A 402 (-4.3A)
 0.88A 3rfaB-5vslA:
4.7		 3rfaB-5vslA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQ4_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
(Methanothermococ
cus
thermolithotroph
icus;
Methanothermococ
cus
thermolithotroph
icus) 		5 / 12 GLU E  57
GLY E  58
SER E  18
CYH F 442
CYH F 445
 SF4  E 302 (-3.8A)
SF4  E 302 ( 4.9A)
None
NFU  F 501 (-2.2A)
NFU  F 501 (-2.4A)
 1.23A 3rq4A-5odrE:
undetectable		 3rq4A-5odrE:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQ4_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2)		 5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		5 / 12 GLU C  67
GLY C  68
SER C  30
CYH D 462
CYH D 465
 SF4  C 201 ( 3.6A)
SF4  C 201 ( 4.5A)
None
NI  D 502 ( 2.3A)
FCO  D 501 ( 2.3A)
 1.17A 3rq4A-5xfaC:
undetectable		 3rq4A-5xfaC:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 6g72 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
8, MITOCHONDRIAL
(Mus
musculus) 		5 / 11 ALA B  63
TYR I 120
ILE I 119
GLY B 127
VAL B 143
 SF4  B 201 (-3.3A)
None
SF4  I 201 (-4.6A)
SF4  B 201 ( 4.2A)
None
 1.09A 3rukD-6g72B:
undetectable		 3rukD-6g72B:
12.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
(Methanothermococ
cus
thermolithotroph
icus;
Methanothermococ
cus
thermolithotroph
icus) 		5 / 12 GLU E  57
GLY E  58
SER E  18
CYH F 442
CYH F 445
 SF4  E 302 (-3.8A)
SF4  E 302 ( 4.9A)
None
NFU  F 501 (-2.2A)
NFU  F 501 (-2.4A)
 1.28A 3s8pB-5odrE:
undetectable		 3s8pB-5odrE:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		5 / 12 GLU C  67
GLY C  68
SER C  30
CYH D 462
CYH D 465
 SF4  C 201 ( 3.6A)
SF4  C 201 ( 4.5A)
None
NI  D 502 ( 2.3A)
FCO  D 501 ( 2.3A)
 1.20A 3s8pB-5xfaC:
undetectable		 3s8pB-5xfaC:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SMT_A_ACTA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		3 / 3 PHE A 100
SER A 160
GLN A 156
 None
None
SF4  A1026 (-2.4A)
 0.73A 3smtA-1h7wA:
0.0		 3smtA-1h7wA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SP6_A_IL2A901_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		 2vpw NRFC PROTEIN
(Thermus
thermophilus) 		5 / 12 CYH B 131
CYH B  19
THR B 134
ILE B  38
VAL B  14
 SF4  B1195 (-2.2A)
SF4  B1194 (-2.2A)
None
SF4  B1194 (-4.3A)
SF4  B1194 (-4.4A)
 1.40A 3sp6A-2vpwB:
0.0		 3sp6A-2vpwB:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUD_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3a05 TRYPTOPHANYL-TRNA
SYNTHETASE
(Aeropyrum
pernix) 		5 / 12 GLN A 293
GLY A 286
ILE A 340
GLY A 335
ALA A 341
 SF4  A 373 ( 4.5A)
SF4  A 373 (-3.8A)
None
None
None
 0.96A 3sudC-3a05A:
undetectable		 3sudC-3a05A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
(Thermus
thermophilus) 		5 / 11 ILE 3 211
GLY 3 212
THR 2  58
LEU 3 218
PHE 3 191
 SF4  3 785 ( 4.5A)
None
None
None
None
 1.05A 3t3rA-3i9v3:
undetectable		 3t3rA-3i9v3:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_A_SAMA300_0
(PUTATIVE
METHYLTRANSFERASE)		 3or2 SULFITE REDCUTASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		5 / 12 GLY A 220
GLY A 238
PHE A 218
SER A 176
ALA A 186
 SF4  A 802 (-3.2A)
None
None
None
SF4  A 802 (-3.6A)
 1.29A 3t7sA-3or2A:
undetectable		 3t7sA-3or2A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_A_SAMA300_0
(PUTATIVE
METHYLTRANSFERASE)		 5l2r FUMARATE HYDRATASE
(Leishmania
major) 		5 / 12 GLY A 214
GLY A 137
ASP A 135
ALA A 218
ASN A 219
 SF4  A 608 (-3.4A)
None
LMR  A 601 ( 3.6A)
None
LMR  A 602 (-4.5A)
 0.93A 3t7sA-5l2rA:
undetectable		 3t7sA-5l2rA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 3or2 SULFITE REDCUTASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		5 / 12 GLY A 220
GLY A 238
PHE A 218
SER A 176
ALA A 186
 SF4  A 802 (-3.2A)
None
None
None
SF4  A 802 (-3.6A)
 1.24A 3t7sB-3or2A:
undetectable		 3t7sB-3or2A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 5l2r FUMARATE HYDRATASE
(Leishmania
major) 		5 / 12 GLY A 214
GLY A 137
ASP A 135
ALA A 218
ASN A 219
 SF4  A 608 (-3.4A)
None
LMR  A 601 ( 3.6A)
None
LMR  A 602 (-4.5A)
 0.94A 3t7sB-5l2rA:
undetectable		 3t7sB-5l2rA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)		 3or2 SULFITE REDCUTASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		5 / 12 GLY A 220
GLY A 238
PHE A 218
SER A 176
ALA A 186
 SF4  A 802 (-3.2A)
None
None
None
SF4  A 802 (-3.6A)
 1.30A 3t7sD-3or2A:
undetectable		 3t7sD-3or2A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T7S_D_SAMD300_0
(PUTATIVE
METHYLTRANSFERASE)		 5l2r FUMARATE HYDRATASE
(Leishmania
major) 		5 / 12 GLY A 214
GLY A 137
ASP A 135
ALA A 218
ASN A 219
 SF4  A 608 (-3.4A)
None
LMR  A 601 ( 3.6A)
None
LMR  A 602 (-4.5A)
 0.87A 3t7sD-5l2rA:
undetectable		 3t7sD-5l2rA:
19.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		6 / 12 THR A 114
GLY A 116
GLY A 148
TYR A 169
ARG A 190
MET A 237
 MD0  A 993 (-4.0A)
SF4  A 991 ( 3.7A)
SAM  A 992 ( 3.8A)
SAM  A 992 ( 4.6A)
SAM  A 992 (-3.3A)
MD0  A 993 (-3.9A)
 1.03A 3t7vA-3t7vA:
63.9		 3t7vA-3t7vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		12 / 12 THR A 114
GLY A 116
GLY A 148
TYR A 169
GLU A 171
ARG A 182
ARG A 190
LEU A 209
MET A 237
GLN A 242
VAL A 310
ALA A 311
 MD0  A 993 (-4.0A)
SF4  A 991 ( 3.7A)
SAM  A 992 ( 3.8A)
SAM  A 992 ( 4.6A)
SAM  A 992 (-2.8A)
SAM  A 992 ( 2.7A)
SAM  A 992 (-3.3A)
SAM  A 992 (-4.8A)
MD0  A 993 (-3.9A)
SAM  A 992 (-4.2A)
SAM  A 992 (-3.7A)
SAM  A 992 ( 3.8A)
 0.03A 3t7vA-3t7vA:
63.9		 3t7vA-3t7vA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		 3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA
(Archaeoglobus
fulgidus;
Archaeoglobus
fulgidus) 		5 / 11 GLY A 177
PRO A 178
GLY A 104
ARG B  83
ASP A 187
 SF4  A 575 ( 4.2A)
None
None
SRM  B 570 (-2.9A)
None
 1.41A 3t8nD-3mm5A:
undetectable
3t8nF-3mm5A:
undetectable		 3t8nD-3mm5A:
15.24
3t8nF-3mm5A:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		 2nya PERIPLASMIC NITRATE
REDUCTASE
(Escherichia
coli) 		5 / 7 THR A 380
GLY A 113
TYR A 499
GLY A  14
THR A  15
 None
None
None
None
SF4  A2001 ( 3.9A)
 1.48A 3tajA-2nyaA:
undetectable		 3tajA-2nyaA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TF1_A_ACTA191_0
(METHYL-ACCEPTING
CHEMOTAXIS PROTEIN)		 6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARE
(Acetobacterium
woodii) 		4 / 5 LYS A  60
THR A  39
ILE A  61
PHE A  22
 None
SF4  A 403 (-4.6A)
None
None
 1.03A 3tf1A-6fahA:
undetectable		 3tf1A-6fahA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_B_BEZB160_0
(HEME-BINDING PROTEIN
HUTZ)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		4 / 4 LEU G   5
GLY G   4
LEU G  78
GLU G  79
 SF4  G 102 ( 4.6A)
None
None
None
 1.09A 3tgvB-5t5iG:
undetectable		 3tgvB-5t5iG:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_B_ROCB801_2
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 3tkgB-2ynmA:
undetectable		 3tkgB-2ynmA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		 1jqk CARBON MONOXIDE
DEHYDROGENASE
(Rhodospirillum
rubrum) 		5 / 10 GLY A  73
ALA A  74
GLY A  56
LEU A  48
ILE A  79
 None
SF4  A 750 ( 4.0A)
SF4  A 750 ( 3.7A)
None
None
 0.93A 3ttpA-1jqkA:
undetectable		 3ttpA-1jqkA:
9.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TWP_B_SALB404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 5xfa NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus) 		4 / 7 ALA C 103
PRO C 102
ARG D  78
ALA C  94
 None
None
None
SF4  C 201 (-3.9A)
 1.00A 3twpB-5xfaC:
undetectable		 3twpB-5xfaC:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_J_CLMJ221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1kqj A/G-SPECIFIC ADENINE
GLYCOSYLASE
(Escherichia
coli) 		5 / 12 PHE A 180
LEU A 204
VAL A 144
VAL A  10
CYH A 148
 None
SF4  A 300 ( 4.7A)
SF4  A 300 ( 4.4A)
None
None
 1.37A 3u9fJ-1kqjA:
undetectable
3u9fK-1kqjA:
undetectable		 3u9fJ-1kqjA:
22.48
3u9fK-1kqjA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCJ_A_AZMA229_1
(CARBONIC ANHYDRASE)		 1bwe PROTEIN (FERREDOXIN)
(Hydrogenibacillu
s
schlegelii) 		5 / 10 VAL A  19
CYH A  42
GLY A  43
ALA A  44
ALA A  47
 None
SF4  A  79 (-2.1A)
None
SF4  A  79 ( 3.9A)
None
 1.15A 3ucjA-1bweA:
undetectable		 3ucjA-1bweA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCJ_B_AZMB229_2
(CARBONIC ANHYDRASE)		 1bwe PROTEIN (FERREDOXIN)
(Hydrogenibacillu
s
schlegelii) 		5 / 10 VAL A  19
CYH A  42
GLY A  43
ALA A  44
ALA A  47
 None
SF4  A  79 (-2.1A)
None
SF4  A  79 ( 3.9A)
None
 1.15A 3ucjB-1bweA:
undetectable		 3ucjB-1bweA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCJ_B_AZMB229_2
(CARBONIC ANHYDRASE)		 6elq CARBON MONOXIDE
DEHYDROGENASE
(Carboxydothermus
hydrogenoformans) 		5 / 10 VAL X  75
CYH X  69
GLY X  70
ALA X  71
ALA X  66
 None
SF4  X 701 (-2.2A)
None
SF4  X 701 ( 4.2A)
None
 1.17A 3ucjB-6elqX:
undetectable		 3ucjB-6elqX:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFG_B_LEUB289_0
(GLYCYL-TRNA
SYNTHETASE ALPHA
SUBUNIT)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		3 / 3 PHE B 131
SER B 213
SER B 233
 SF4  B 401 ( 4.6A)
SF4  B 401 (-3.1A)
SF4  B 401 ( 4.8A)
 0.96A 3ufgB-4pl2B:
undetectable		 3ufgB-4pl2B:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 2zvs UNCHARACTERIZED
FERREDOXIN-LIKE
PROTEIN YFHL
(Escherichia
coli) 		5 / 12 TYR A  30
ILE A  23
ILE A   9
CYH A   8
ILE A   4
 SF4  A 101 (-4.2A)
None
SF4  A 101 (-4.6A)
SF4  A 101 (-2.3A)
SF4  A 101 (-3.8A)
 1.04A 3uj6A-2zvsA:
undetectable		 3uj6A-2zvsA:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 1rgv FERREDOXIN
(Thauera
aromatica) 		5 / 12 TYR A  30
ILE A  23
CYH A   8
ILE A   4
ALA A  13
 SF4  A 101 ( 3.8A)
None
SF4  A 101 (-2.4A)
SF4  A 101 ( 4.1A)
SF4  A 101 ( 4.1A)
 0.89A 3uj7A-1rgvA:
undetectable		 3uj7A-1rgvA:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
[FE]-HYDROGENASE
(SMALL SUBUNIT)
(Desulfovibrio
desulfuricans;
Desulfovibrio
desulfuricans) 		5 / 8 GLY A 301
GLY A 381
ILE D  47
LEU A 330
VAL A 383
 None
SF4  A   3 ( 3.9A)
None
None
None
 1.17A 3v1nA-1e08A:
undetectable		 3v1nA-1e08A:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		5 / 8 GLY L 301
GLY L 300
GLY L 381
ILE S  47
VAL L 383
 None
None
SF4  L 424 ( 4.4A)
None
None
 1.31A 3v1nA-1hfeL:
undetectable		 3v1nA-1hfeL:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VT3_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 5xmj FUMARATE REDUCTASE
RESPIRATORY COMPLEX
SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT
(Desulfovibrio
gigas) 		5 / 12 LEU B 224
CYH B 151
VAL B 217
HIS C 106
LEU C 104
 SF4  B 302 (-4.7A)
SF4  B 302 (-2.2A)
None
None
None
 1.24A 3vt3A-5xmjB:
undetectable		 3vt3A-5xmjB:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W1W_A_CHDA1503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1uwv 23S RRNA
(URACIL-5-)-METHYLTR
ANSFERASE RUMA
(Escherichia
coli) 		5 / 8 ILE A 164
ARG A 128
LEU A 165
VAL A 159
GLY A 147
 SF4  A1432 (-3.9A)
None
None
SF4  A1432 ( 4.7A)
None
 1.49A 3w1wA-1uwvA:
undetectable		 3w1wA-1uwvA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZMD_A_SALA201_1
(PUTATIVE
TRANSCRIPTIONAL
REGULATOR)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		4 / 8 LEU A 191
TYR A 196
GLU A 194
HIS A 252
 None
None
SF4  A 501 ( 4.9A)
None
 1.29A 3zmdA-4wcxA:
undetectable
3zmdB-4wcxA:
undetectable		 3zmdA-4wcxA:
16.25
3zmdB-4wcxA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZWI_A_ASCA156_0
(CYTOCHROME C')		 1isu HIGH POTENTIAL IRON
SULFUR PROTEIN
(Rhodocyclus
tenuis) 		4 / 5 ALA A  37
GLY A  53
CYH A  22
LYS A  21
 None
None
SF4  A  63 (-2.2A)
None
 1.43A 3zwiA-1isuA:
undetectable		 3zwiA-1isuA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A3U_A_ACTA1358_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 1clf FERREDOXIN
(Clostridium
pasteurianum) 		5 / 9 ALA A   5
ILE A   4
GLY A  50
VAL A  49
SER A   7
 None
SF4  A  56 (-3.7A)
None
None
None
 0.94A 4a3uA-1clfA:
undetectable		 4a3uA-1clfA:
8.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT B
HETERODISULFIDE
REDUCTASE, SUBUNIT C
(Methanothermococ
cus
thermolithotroph
icus;
Methanothermococ
cus
thermolithotroph
icus) 		5 / 12 TYR C  52
LEU B 207
GLY B 198
ILE C  97
ALA B 196
 SF4  C 202 (-4.9A)
None
COM  B 303 (-4.0A)
None
9S8  B 302 ( 4.2A)
 1.15A 4a6dA-5odrC:
undetectable		 4a6dA-5odrC:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		 2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN
(Azospirillum
brasilense) 		4 / 8 TRP G  68
VAL G 123
CYH G 104
ILE G  65
 None
None
SF4  G 482 (-2.4A)
SF4  G 483 (-4.7A)
 0.98A 4afgD-2vdcG:
undetectable
4afgE-2vdcG:
undetectable		 4afgD-2vdcG:
17.60
4afgE-2vdcG:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT C
(Methanothermococ
cus
thermolithotroph
icus) 		4 / 8 TYR C  84
CYH C  83
ILE C  58
ILE C  97
 None
SF4  C 202 (-2.3A)
SF4  C 201 ( 4.8A)
None
 1.06A 4afgD-5odrC:
undetectable
4afgE-5odrC:
undetectable		 4afgD-5odrC:
22.73
4afgE-5odrC:
22.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN
(Azospirillum
brasilense) 		4 / 8 TRP G  68
VAL G 123
CYH G 104
ILE G  65
 None
None
SF4  G 482 (-2.4A)
SF4  G 483 (-4.7A)
 1.04A 4aftD-2vdcG:
undetectable
4aftE-2vdcG:
undetectable		 4aftD-2vdcG:
18.74
4aftE-2vdcG:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AGA_A_ACTA1131_0
(LYSOZYME C)		 4m7s BTRN
(Bacillus
circulans) 		3 / 3 ASN A  17
ASP A  94
ASN A  92
 None
None
SF4  A 502 (-4.5A)
 0.76A 4agaA-4m7sA:
undetectable		 4agaA-4m7sA:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ASD_A_BAXA1500_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 6 ILE B 141
VAL B 101
CYH B  80
ILE B  93
 None
SF4  B1013 ( 4.5A)
SF4  B1013 (-2.3A)
None
 0.92A 4asdA-1h0hB:
undetectable		 4asdA-1h0hB:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AX8_A_SAMA1474_0
(WBDD)		 4eht ACTIVATOR OF
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE
(Clostridioides
difficile) 		6 / 12 GLY A 128
ALA A 127
ILE A 100
SER A 199
VAL A 197
ILE A  98
 None
SF4  A 301 ( 4.4A)
None
None
None
None
 1.46A 4ax8A-4ehtA:
undetectable		 4ax8A-4ehtA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZV_A_SAMA1474_0
(WBDD)		 4eht ACTIVATOR OF
2-HYDROXYISOCAPROYL-
COA DEHYDRATASE
(Clostridioides
difficile) 		6 / 12 GLY A 128
ALA A 127
ILE A 100
SER A 199
VAL A 197
ILE A  98
 None
SF4  A 301 ( 4.4A)
None
None
None
None
 1.46A 4azvA-4ehtA:
undetectable		 4azvA-4ehtA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B7N_A_ZMRA601_2
(NEURAMINIDASE)		 2d3y URACIL-DNA
GLYCOSYLASE
(Thermus
thermophilus) 		3 / 3 ARG A  41
ARG A  23
TRP A  39
 None
SF4  A 220 ( 4.8A)
None
 1.33A 4b7nA-2d3yA:
undetectable		 4b7nA-2d3yA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN
(Azospirillum
brasilense) 		4 / 8 TRP G  68
VAL G 123
CYH G 104
ILE G  65
 None
None
SF4  G 482 (-2.4A)
SF4  G 483 (-4.7A)
 1.08A 4bqtC-2vdcG:
undetectable
4bqtD-2vdcG:
undetectable		 4bqtC-2vdcG:
18.74
4bqtD-2vdcG:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BUP_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
(Methanothermococ
cus
thermolithotroph
icus;
Methanothermococ
cus
thermolithotroph
icus) 		5 / 12 GLU E  57
GLY E  58
SER E  18
CYH F 442
CYH F 445
 SF4  E 302 (-3.8A)
SF4  E 302 ( 4.9A)
None
NFU  F 501 (-2.2A)
NFU  F 501 (-2.4A)
 1.26A 4bupA-5odrE:
undetectable		 4bupA-5odrE:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BUP_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		5 / 12 GLU C  67
GLY C  68
SER C  30
CYH D 462
CYH D 465
 SF4  C 201 ( 3.6A)
SF4  C 201 ( 4.5A)
None
NI  D 502 ( 2.3A)
FCO  D 501 ( 2.3A)
 1.18A 4bupA-5xfaC:
undetectable		 4bupA-5xfaC:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_C_ZMRC1470_2
(NEURAMINIDASE)		 2d3y URACIL-DNA
GLYCOSYLASE
(Thermus
thermophilus) 		3 / 3 ARG A  41
ARG A  23
TRP A  39
 None
SF4  A 220 ( 4.8A)
None
 1.33A 4cpzC-2d3yA:
undetectable		 4cpzC-2d3yA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_E_ZMRE1471_2
(NEURAMINIDASE)		 2d3y URACIL-DNA
GLYCOSYLASE
(Thermus
thermophilus) 		3 / 3 ARG A  41
ARG A  23
TRP A  39
 None
SF4  A 220 ( 4.8A)
None
 1.37A 4cpzE-2d3yA:
undetectable		 4cpzE-2d3yA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_F_ZMRF1470_2
(NEURAMINIDASE)		 2d3y URACIL-DNA
GLYCOSYLASE
(Thermus
thermophilus) 		3 / 3 ARG A  41
ARG A  23
TRP A  39
 None
SF4  A 220 ( 4.8A)
None
 1.33A 4cpzF-2d3yA:
undetectable		 4cpzF-2d3yA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_G_ZMRG1471_2
(NEURAMINIDASE)		 2d3y URACIL-DNA
GLYCOSYLASE
(Thermus
thermophilus) 		3 / 3 ARG A  41
ARG A  23
TRP A  39
 None
SF4  A 220 ( 4.8A)
None
 1.40A 4cpzG-2d3yA:
undetectable		 4cpzG-2d3yA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CPZ_H_ZMRH1470_2
(NEURAMINIDASE)		 2d3y URACIL-DNA
GLYCOSYLASE
(Thermus
thermophilus) 		3 / 3 ARG A  41
ARG A  23
TRP A  39
 None
SF4  A 220 ( 4.8A)
None
 1.26A 4cpzH-2d3yA:
undetectable		 4cpzH-2d3yA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTJ_A_SAMA1263_0
(NON-STRUCTURAL
PROTEIN 5)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.11A 4ctjA-1e08A:
undetectable		 4ctjA-1e08A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTJ_C_SAMC1263_0
(NON-STRUCTURAL
PROTEIN 5)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.18A 4ctjC-1e08A:
undetectable		 4ctjC-1e08A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTK_A_SAMA1263_0
(POLYPROTEIN)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.10A 4ctkA-1e08A:
undetectable		 4ctkA-1e08A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		 2ivf ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 8 ASN B 224
TRP B  42
GLN B 229
ASN B  40
 SF4  B1359 (-4.1A)
SF4  B1359 (-4.5A)
None
None
 1.31A 4d1yA-2ivfB:
undetectable
4d1yB-2ivfB:
undetectable		 4d1yA-2ivfB:
21.15
4d1yB-2ivfB:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D33_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
(Thermus
thermophilus) 		4 / 5 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
 None
None
None
SF4  1 439 ( 4.5A)
 1.09A 4d33A-3i9v1:
undetectable		 4d33A-3i9v1:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D33_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
(Thermus
thermophilus) 		4 / 5 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
 None
None
None
SF4  1 439 ( 4.5A)
 1.07A 4d33B-3i9v1:
undetectable		 4d33B-3i9v1:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D39_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
(Thermus
thermophilus) 		4 / 4 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
 None
None
None
SF4  1 439 ( 4.5A)
 1.08A 4d39A-3i9v1:
0.0		 4d39A-3i9v1:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
(Thermus
thermophilus) 		4 / 6 GLY 1 396
TRP 1 408
VAL 1 407
SER 1 398
 None
None
None
SF4  1 439 ( 4.5A)
 1.06A 4d39B-3i9v1:
undetectable		 4d39B-3i9v1:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D7H_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 105
THR B  43
TRP B  42
 None
None
SF4  B1359 (-4.5A)
 1.20A 4d7hA-2ivfA:
undetectable		 4d7hA-2ivfA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQB_B_017B101_1
(ASPARTYL PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.92A 4dqbA-2ynmA:
undetectable		 4dqbA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.90A 4dqeA-2ynmA:
undetectable		 4dqeA-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.87A 4dqfA-2ynmA:
undetectable		 4dqfA-2ynmA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DQH_B_017B101_1
(WILD-TYPE HIV-1
PROTEASE DIMER)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 11 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.90A 4dqhA-2ynmA:
undetectable		 4dqhA-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DXU_A_ACAA711_1
(LACTOTRANSFERRIN)		 2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE
(Sus
scrofa) 		4 / 6 GLY A 531
PRO A 529
GLY A 329
GLU A 244
 None
SF4  A 610 ( 4.3A)
None
None
 0.88A 4dxuA-2gmhA:
undetectable		 4dxuA-2gmhA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
(Desulfovibrio
vulgaris) 		4 / 7 ASN L  68
GLY L  70
THR L  74
ILE L   9
 None
SF4  L 423 (-3.9A)
CYS  L 432 (-3.3A)
None
 0.88A 4ejjA-1hfeL:
undetectable		 4ejjA-1hfeL:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 2iv2 FORMATE
DEHYDROGENASE H
(Escherichia
coli) 		4 / 7 PHE X 525
ASN X 336
GLY X  14
THR X  36
 None
None
SF4  X 800 ( 4.5A)
None
 1.00A 4ejjB-2iv2X:
undetectable		 4ejjB-2iv2X:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EM2_A_SALA504_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		4 / 8 GLY C  38
LEU C  65
ILE C  64
THR C  41
 None
None
None
SF4  C1413 ( 4.6A)
 0.77A 4em2A-2ynmC:
undetectable		 4em2A-2ynmC:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA
(Moorella
thermoacetica) 		4 / 8 ASP B  57
ASN C 143
CYH C  52
GLU B 154
 None
5SR  C 402 (-4.4A)
SF4  C 401 ( 2.3A)
None
 1.16A 4feuF-5exeB:
undetectable		 4feuF-5exeB:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA
(Moorella
thermoacetica) 		4 / 8 ASP B  57
ASN C 143
CYH C  52
GLU B 154
 None
5SR  C 402 (-4.4A)
SF4  C 401 ( 2.3A)
None
 1.19A 4fewD-5exeB:
undetectable		 4fewD-5exeB:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA
(Moorella
thermoacetica) 		4 / 8 ASP B  57
ASN C 143
CYH C  52
GLU B 154
 None
5SR  C 402 (-4.4A)
SF4  C 401 ( 2.3A)
None
 1.17A 4fewF-5exeB:
undetectable		 4fewF-5exeB:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		 6f0k ACTD
FE-S-CLUSTER-CONTAIN
ING HYDROGENASE
(Rhodothermus
marinus) 		5 / 12 GLU B 874
GLY D 107
VAL B 911
ASN B 890
HIS B 867
 None
None
None
SF4  B1102 (-3.7A)
None
 1.45A 4ffwA-6f0kB:
undetectable		 4ffwA-6f0kB:
7.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		4 / 7 GLY B 271
VAL B 272
PHE B 246
ILE B 251
 None
None
SF4  B 803 (-4.8A)
None
 0.92A 4fglC-3egwB:
undetectable		 4fglC-3egwB:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FIM_A_CELA711_1
(LACTOTRANSFERRIN)		 4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT
(Desulfomicrobium
baculatum) 		5 / 9 GLU S 221
GLY S 230
PRO S 240
GLU S 283
GLY S 236
 None
None
SF4  S 301 ( 4.5A)
None
None
 1.10A 4fimA-4ko2S:
undetectable		 4fimA-4ko2S:
23.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)
(Clostridium
pasteurianum) 		4 / 8 ASP A 186
CYH A 157
THR A 161
GLY A 194
 None
SF4  A 582 (-2.2A)
SF4  A 582 ( 3.9A)
SF4  A 582 (-3.9A)
 0.98A 4fo4A-1fehA:
undetectable		 4fo4A-1fehA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
(Desulfomicrobium
norvegicum) 		4 / 8 ASN A 300
CYH A 284
THR A 286
MET A 307
 None
SF4  A 501 (-2.2A)
SF4  A 501 ( 4.2A)
None
 0.72A 4fo4A-2xsjA:
undetectable		 4fo4A-2xsjA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
(Archaeoglobus
fulgidus) 		4 / 8 ASN A 282
CYH A 266
THR A 268
MET A 289
 None
SF4  A 576 (-2.2A)
SF4  A 576 ( 4.4A)
None
 0.82A 4fo4A-3mm5A:
undetectable		 4fo4A-3mm5A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FO4_A_MOAA502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 3or2 SULFITE REDCUTASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		4 / 8 ASN A 300
CYH A 284
THR A 286
MET A 307
 None
SF4  A 801 (-2.4A)
SF4  A 801 ( 4.1A)
None
 0.74A 4fo4A-3or2A:
undetectable		 4fo4A-3or2A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
(Desulfomicrobium
norvegicum) 		4 / 8 ASN A 300
CYH A 284
THR A 286
MET A 307
 None
SF4  A 501 (-2.2A)
SF4  A 501 ( 4.2A)
None
 0.73A 4fo4B-2xsjA:
undetectable		 4fo4B-2xsjA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
(Archaeoglobus
fulgidus) 		4 / 8 ASN A 282
CYH A 266
THR A 268
MET A 289
 None
SF4  A 576 (-2.2A)
SF4  A 576 ( 4.4A)
None
 0.84A 4fo4B-3mm5A:
undetectable		 4fo4B-3mm5A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FO4_B_MOAB502_1
(INOSINE
5'-MONOPHOSPHATE
DEHYDROGENASE)		 3or2 SULFITE REDCUTASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		4 / 8 ASN A 300
CYH A 284
THR A 286
MET A 307
 None
SF4  A 801 (-2.4A)
SF4  A 801 ( 4.1A)
None
 0.75A 4fo4B-3or2A:
undetectable		 4fo4B-3or2A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA
(Moorella
thermoacetica) 		4 / 8 ASP B  57
ASN C 143
CYH C  52
GLU B 154
 None
5SR  C 402 (-4.4A)
SF4  C 401 ( 2.3A)
None
 1.18A 4gkhB-5exeB:
undetectable		 4gkhB-5exeB:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA
(Moorella
thermoacetica) 		4 / 8 ASP B  57
ASN C 143
CYH C  52
GLU B 154
 None
5SR  C 402 (-4.4A)
SF4  C 401 ( 2.3A)
None
 1.16A 4gkhD-5exeB:
undetectable		 4gkhD-5exeB:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA
(Moorella
thermoacetica) 		4 / 8 ASP B  57
ASN C 143
CYH C  52
GLU B 154
 None
5SR  C 402 (-4.4A)
SF4  C 401 ( 2.3A)
None
 1.18A 4gkiA-5exeB:
undetectable		 4gkiA-5exeB:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA
(Moorella
thermoacetica) 		4 / 8 ASP B  57
ASN C 143
CYH C  52
GLU B 154
 None
5SR  C 402 (-4.4A)
SF4  C 401 ( 2.3A)
None
 1.15A 4gkiC-5exeB:
undetectable		 4gkiC-5exeB:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HLA_A_017A200_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 1.00A 4hlaA-2ynmA:
undetectable		 4hlaA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HTF_A_SAMA301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 5l2r FUMARATE HYDRATASE
(Leishmania
major) 		5 / 12 GLY A 216
GLY A 215
GLY A 214
SER A 345
ALA A 250
 LMR  A 601 (-3.1A)
LMR  A 601 ( 4.3A)
SF4  A 608 (-3.4A)
None
LMR  A 602 ( 3.8A)
 0.97A 4htfA-5l2rA:
undetectable		 4htfA-5l2rA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HTF_B_SAMB301_0
(S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 5l2r FUMARATE HYDRATASE
(Leishmania
major) 		5 / 12 GLY A 216
GLY A 215
GLY A 214
SER A 345
ALA A 250
 LMR  A 601 (-3.1A)
LMR  A 601 ( 4.3A)
SF4  A 608 (-3.4A)
None
LMR  A 602 ( 3.8A)
 0.99A 4htfB-5l2rA:
undetectable		 4htfB-5l2rA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IAQ_A_2GMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT
(Homo
sapiens) 		5 / 12 ASP B 131
CYH B 134
ALA B 139
PHE B 193
LEU B 107
 None
SF4  B1000 (-2.3A)
None
SF4  B1000 (-4.9A)
None
 1.45A 4iaqA-5of4B:
2.3		 4iaqA-5of4B:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IIL_A_RBFA401_2
(MEMBRANE LIPOPROTEIN
TPN38(B))		 3lzd DPH2
(Pyrococcus
horikoshii) 		4 / 8 PRO A 291
VAL A 290
ASN A 270
GLN A 241
 None
None
None
SF4  A 343 ( 4.4A)
 1.02A 4iilA-3lzdA:
4.0		 4iilA-3lzdA:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J4V_A_SVRA301_1
(NUCLEOCAPSID PROTEIN)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 11 GLY B 221
ASN B 215
ALA B 196
MET B 101
PHE B 145
 None
None
None
None
SF4  B 807 (-4.7A)
 1.23A 4j4vA-1kqgB:
undetectable		 4j4vA-1kqgB:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J4V_B_SVRB301_1
(NUCLEOCAPSID PROTEIN)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 10 GLY B 221
ASN B 215
ALA B 196
MET B 101
PHE B 145
 None
None
None
None
SF4  B 807 (-4.7A)
 1.22A 4j4vB-1kqgB:
undetectable		 4j4vB-1kqgB:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J4V_D_SVRD301_1
(NUCLEOCAPSID PROTEIN)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 11 GLY B 221
ASN B 215
ALA B 196
MET B 101
PHE B 145
 None
None
None
None
SF4  B 807 (-4.7A)
 1.23A 4j4vD-1kqgB:
undetectable
4j4vE-1kqgB:
undetectable		 4j4vD-1kqgB:
21.62
4j4vE-1kqgB:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J4V_E_SVRE301_1
(NUCLEOCAPSID PROTEIN)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 10 GLY B 221
ASN B 215
ALA B 196
MET B 101
PHE B 145
 None
None
None
None
SF4  B 807 (-4.7A)
 1.21A 4j4vA-1kqgB:
undetectable
4j4vE-1kqgB:
undetectable		 4j4vA-1kqgB:
21.62
4j4vE-1kqgB:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J5J_B_478B401_2
(PROTEASE)		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A
(Methanothermococ
cus
thermolithotroph
icus) 		5 / 10 ALA A 631
GLY A 626
PRO A 599
VAL A 612
VAL A 579
 SF4  A 707 ( 4.4A)
None
SF4  A 706 ( 4.2A)
None
SF4  A 707 ( 4.5A)
 1.07A 4j5jB-5odrA:
undetectable		 4j5jB-5odrA:
10.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		 5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC
(Zea
mays) 		5 / 12 LEU A 502
CYH A 500
PRO A 541
ALA A 507
GLY A 558
 SF4  A 701 (-4.2A)
SF4  A 701 ( 2.3A)
None
None
None
 1.48A 4j7xA-5h8yA:
undetectable		 4j7xA-5h8yA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JVL_A_ESTA702_1
(ESTROGEN
SULFOTRANSFERASE)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
(Methanothermobac
ter
wolfeii) 		4 / 9 TYR F 156
CYH F 157
HIS F 173
ILE F 209
 None
SF4  F 407 (-2.2A)
None
None
 1.18A 4jvlA-5t5iF:
undetectable		 4jvlA-5t5iF:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JX1_F_CAMF502_0
(CAMPHOR
5-MONOOXYGENASE)		 5odr HETERODISULFIDE
REDUCTASE, SUBUNIT B
HETERODISULFIDE
REDUCTASE, SUBUNIT C
(Methanothermococ
cus
thermolithotroph
icus;
Methanothermococ
cus
thermolithotroph
icus) 		4 / 4 TYR C  52
THR C  79
VAL B 200
ILE C  74
 SF4  C 202 (-4.9A)
None
None
None
 0.88A 4jx1F-5odrC:
undetectable		 4jx1F-5odrC:
19.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JXC_A_SAMA402_0
(FEFE-HYDROGENASE
MATURASE)		 4jxc FEFE-HYDROGENASE
MATURASE
(Thermotoga
maritima) 		12 / 12 TYR A  69
CYH A  70
GLN A 107
SER A 136
GLY A 138
ARG A 159
ARG A 180
MET A 199
ILE A 231
TYR A 303
LEU A 305
TYR A 306
 SAM  A 402 (-4.6A)
SF4  A 401 (-2.2A)
SAM  A 402 ( 3.8A)
SAM  A 402 (-3.9A)
SAM  A 402 (-3.8A)
SAM  A 402 ( 4.2A)
SAM  A 402 (-3.3A)
SAM  A 402 (-3.5A)
SAM  A 402 (-4.4A)
None
SAM  A 402 (-3.3A)
SAM  A 402 ( 4.6A)
 0.20A 4jxcA-4jxcA:
66.2		 4jxcA-4jxcA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		6 / 12 TYR A  30
GLU A  76
ASN A 104
SER A 126
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SF4  A1401 ( 4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.90A 4k36A-1tv8A:
18.7		 4k36A-1tv8A:
22.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		12 / 12 TYR A  21
TYR A  24
GLU A  67
GLN A  98
ASN A 100
SER A 122
ARG A 134
LEU A 163
VAL A 165
ILE A 192
CYH A 194
LEU A 195
 SAM  A 504 (-4.6A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
SAM  A 504 (-4.4A)
SF4  A 503 ( 4.2A)
SAM  A 504 (-2.5A)
SAM  A 504 ( 3.5A)
SAM  A 504 (-3.8A)
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.1A)
 0.30A 4k36A-4k37A:
59.7		 4k36A-4k37A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2
(Mus
musculus) 		6 / 12 GLU A 127
ASN A 158
SER A 180
VAL A 224
CYH A 251
LEU A 252
 SAH  A 402 (-4.3A)
SF4  A 401 ( 4.3A)
SAH  A 402 (-2.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-3.8A)
SAH  A 402 (-4.5A)
 0.43A 4k36A-5vslA:
19.2		 4k36A-5vslA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5wgg RADICAL SAM DOMAIN
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		5 / 12 TYR A 110
GLU A 155
ASN A 188
SER A 210
ARG A 222
 SAM  A 504 (-4.8A)
SAM  A 504 (-3.7A)
SF4  A 502 ( 4.3A)
SAM  A 504 (-2.5A)
SF4  A 502 ( 3.6A)
 0.18A 4k36A-5wggA:
31.0		 4k36A-5wggA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 12 TYR A  30
CYH A  31
GLU A  76
ASN A 104
VAL A 167
 SAM  A1501 ( 4.5A)
SF4  A1401 (-2.3A)
SAM  A1501 (-4.4A)
SF4  A1401 ( 4.4A)
SAM  A1501 (-4.5A)
 0.68A 4k36B-1tv8A:
18.7		 4k36B-1tv8A:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 12 TYR A  30
GLU A  76
ASN A 104
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SF4  A1401 ( 4.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.81A 4k36B-1tv8A:
18.7		 4k36B-1tv8A:
22.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		5 / 12 CYH A  22
TYR A  24
GLU A  67
GLN A  64
LEU A 195
 SF4  A 503 ( 2.2A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
None
SAM  A 504 (-4.1A)
 1.09A 4k36B-4k37A:
59.3		 4k36B-4k37A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		12 / 12 TYR A  21
CYH A  22
TYR A  24
GLU A  67
GLN A  98
ASN A 100
ARG A 134
LEU A 163
VAL A 165
ILE A 192
CYH A 194
LEU A 195
 SAM  A 504 (-4.6A)
SF4  A 503 ( 2.2A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
SAM  A 504 (-4.4A)
SF4  A 503 ( 4.2A)
SAM  A 504 ( 3.5A)
SAM  A 504 (-3.8A)
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.1A)
 0.43A 4k36B-4k37A:
59.3		 4k36B-4k37A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4m7s BTRN
(Bacillus
circulans) 		5 / 12 TYR A  22
CYH A  23
TYR A  62
GLU A  64
ASN A  92
 None
SF4  A 502 (-2.4A)
None
None
SF4  A 502 (-4.5A)
 0.76A 4k36B-4m7sA:
13.7		 4k36B-4m7sA:
27.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2
(Mus
musculus) 		5 / 12 CYH A  91
ARG A 194
VAL A 224
CYH A 251
LEU A 252
 SF4  A 401 ( 2.4A)
SAH  A 402 ( 3.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-3.8A)
SAH  A 402 (-4.5A)
 0.84A 4k36B-5vslA:
19.6		 4k36B-5vslA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2
(Mus
musculus) 		6 / 12 CYH A  91
GLU A 127
ASN A 158
VAL A 224
CYH A 251
LEU A 252
 SF4  A 401 ( 2.4A)
SAH  A 402 (-4.3A)
SF4  A 401 ( 4.3A)
SAH  A 402 (-4.3A)
SAH  A 402 (-3.8A)
SAH  A 402 (-4.5A)
 0.48A 4k36B-5vslA:
19.6		 4k36B-5vslA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5wgg RADICAL SAM DOMAIN
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		5 / 12 TYR A 110
CYH A 111
GLU A 155
ASN A 188
ARG A 222
 SAM  A 504 (-4.8A)
SF4  A 502 ( 2.4A)
SAM  A 504 (-3.7A)
SF4  A 502 ( 4.3A)
SF4  A 502 ( 3.6A)
 0.18A 4k36B-5wggA:
30.9		 4k36B-5wggA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 11 TYR A  30
CYH A  31
GLU A  76
SER A 126
VAL A 167
 SAM  A1501 ( 4.5A)
SF4  A1401 (-2.3A)
SAM  A1501 (-4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
 0.68A 4k37A-1tv8A:
18.5		 4k37A-1tv8A:
22.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		5 / 11 CYH A  22
TYR A  24
GLU A  67
GLN A  64
LEU A 195
 SF4  A 503 ( 2.2A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
None
SAM  A 504 (-4.1A)
 0.89A 4k37A-4k37A:
63.7		 4k37A-4k37A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		11 / 11 TYR A  21
CYH A  22
TYR A  24
GLU A  67
GLN A  98
SER A 122
ARG A 134
LEU A 163
VAL A 165
ILE A 192
LEU A 195
 SAM  A 504 (-4.6A)
SF4  A 503 ( 2.2A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
SAM  A 504 (-4.4A)
SAM  A 504 (-2.5A)
SAM  A 504 ( 3.5A)
SAM  A 504 (-3.8A)
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.1A)
 0.00A 4k37A-4k37A:
63.7		 4k37A-4k37A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		5 / 11 CYH B 132
GLU B 180
SER B 233
VAL B 280
ILE B 309
 SF4  B 401 (-2.1A)
SF4  B 401 ( 4.8A)
SF4  B 401 ( 4.8A)
None
None
 0.65A 4k37A-4pl2B:
4.5		 4k37A-4pl2B:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4rh0 SPORE PHOTOPRODUCT
LYASE
(Geobacillus
thermodenitrific
ans) 		5 / 11 TYR A  96
CYH A  97
TYR A  98
SER A 195
ILE A 270
 EEM  A 401 ( 4.6A)
SF4  A 409 (-2.1A)
EEM  A 401 (-4.1A)
EEM  A 401 (-2.4A)
EEM  A 401 ( 4.3A)
 1.21A 4k37A-4rh0A:
11.0		 4k37A-4rh0A:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5hr6 RLMN METHYLASE
(Escherichia
coli) 		5 / 11 CYH A 132
GLU A 180
SER A 233
VAL A 280
ILE A 309
 SF4  A 502 ( 2.2A)
MET  A 501 (-4.0A)
MET  A 501 ( 2.6A)
5AD  A 503 (-4.8A)
5AD  A 503 (-4.1A)
 0.52A 4k37A-5hr6A:
4.2		 4k37A-5hr6A:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2
(Mus
musculus) 		6 / 11 CYH A  91
GLU A 127
SER A 180
ARG A 194
VAL A 224
LEU A 252
 SF4  A 401 ( 2.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-2.4A)
SAH  A 402 ( 3.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-4.5A)
 0.78A 4k37A-5vslA:
19.4		 4k37A-5vslA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5wgg RADICAL SAM DOMAIN
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		5 / 11 TYR A 110
CYH A 111
GLU A 155
SER A 210
ARG A 222
 SAM  A 504 (-4.8A)
SF4  A 502 ( 2.4A)
SAM  A 504 (-3.7A)
SAM  A 504 (-2.5A)
SF4  A 502 ( 3.6A)
 0.19A 4k37A-5wggA:
31.1		 4k37A-5wggA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		6 / 11 TYR A  30
GLU A  76
ASN A 104
SER A 126
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SF4  A1401 ( 4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.96A 4k37B-1tv8A:
18.9		 4k37B-1tv8A:
22.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K37_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		6 / 11 TYR A  21
TYR A  24
GLU A  67
GLN A  64
ASN A 100
LEU A 195
 SAM  A 504 (-4.6A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
None
SF4  A 503 ( 4.2A)
SAM  A 504 (-4.1A)
 0.98A 4k37B-4k37A:
59.7		 4k37B-4k37A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K37_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		11 / 11 TYR A  21
TYR A  24
GLU A  67
GLN A  98
ASN A 100
SER A 122
ARG A 134
LEU A 163
VAL A 165
ILE A 192
LEU A 195
 SAM  A 504 (-4.6A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
SAM  A 504 (-4.4A)
SF4  A 503 ( 4.2A)
SAM  A 504 (-2.5A)
SAM  A 504 ( 3.5A)
SAM  A 504 (-3.8A)
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.1A)
 0.20A 4k37B-4k37A:
59.7		 4k37B-4k37A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2
(Mus
musculus) 		5 / 11 GLU A 127
ASN A 158
SER A 180
VAL A 224
LEU A 252
 SAH  A 402 (-4.3A)
SF4  A 401 ( 4.3A)
SAH  A 402 (-2.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-4.5A)
 0.41A 4k37B-5vslA:
19.4		 4k37B-5vslA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5wgg RADICAL SAM DOMAIN
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		5 / 11 TYR A 110
GLU A 155
ASN A 188
SER A 210
ARG A 222
 SAM  A 504 (-4.8A)
SAM  A 504 (-3.7A)
SF4  A 502 ( 4.3A)
SAM  A 504 (-2.5A)
SF4  A 502 ( 3.6A)
 0.19A 4k37B-5wggA:
30.9		 4k37B-5wggA:
23.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K38_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		10 / 12 TYR A  21
CYH A  22
PHE A  23
GLU A  67
GLN A  98
ARG A 134
LEU A 163
VAL A 165
ILE A 192
LEU A 195
 SAM  A 504 (-4.6A)
SF4  A 503 ( 2.2A)
SAM  A 504 (-4.2A)
SAM  A 504 (-4.1A)
SAM  A 504 (-4.4A)
SAM  A 504 ( 3.5A)
SAM  A 504 (-3.8A)
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.1A)
 0.86A 4k38B-4k37A:
58.5		 4k38B-4k37A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K38_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		10 / 12 TYR A  21
CYH A  22
PHE A  23
TYR A  24
GLU A  67
ARG A 134
LEU A 163
VAL A 165
ILE A 192
LEU A 195
 SAM  A 504 (-4.6A)
SF4  A 503 ( 2.2A)
SAM  A 504 (-4.2A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
SAM  A 504 ( 3.5A)
SAM  A 504 (-3.8A)
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.1A)
 0.36A 4k38B-4k37A:
58.5		 4k38B-4k37A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K38_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2
(Mus
musculus) 		5 / 12 CYH A  91
GLU A 127
ARG A 194
VAL A 224
LEU A 252
 SF4  A 401 ( 2.4A)
SAH  A 402 (-4.3A)
SAH  A 402 ( 3.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-4.5A)
 0.83A 4k38B-5vslA:
19.8		 4k38B-5vslA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		6 / 12 TYR A  30
GLU A  76
ASN A 104
SER A 126
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SF4  A1401 ( 4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.96A 4k39A-1tv8A:
18.6		 4k39A-1tv8A:
22.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		11 / 12 TYR A  21
PHE A  23
TYR A  24
GLU A  67
ASN A 100
SER A 122
ARG A 134
LEU A 163
VAL A 165
ILE A 192
LEU A 195
 SAM  A 504 (-4.6A)
SAM  A 504 (-4.2A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
SF4  A 503 ( 4.2A)
SAM  A 504 (-2.5A)
SAM  A 504 ( 3.5A)
SAM  A 504 (-3.8A)
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.1A)
 0.30A 4k39A-4k37A:
59.6		 4k39A-4k37A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5v1s RADICAL SAM
(Streptococcus
suis) 		5 / 12 PHE A 125
GLU A 161
ASN A 187
SER A 210
VAL A 249
 SAM  A 604 (-4.8A)
SAM  A 604 (-4.4A)
SF4  A 601 (-4.4A)
SAM  A 604 (-2.4A)
SAM  A 604 (-4.2A)
 0.71A 4k39A-5v1sA:
23.3		 4k39A-5v1sA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2
(Mus
musculus) 		5 / 12 GLU A 127
ASN A 158
SER A 180
VAL A 224
LEU A 252
 SAH  A 402 (-4.3A)
SF4  A 401 ( 4.3A)
SAH  A 402 (-2.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-4.5A)
 0.51A 4k39A-5vslA:
19.2		 4k39A-5vslA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5wgg RADICAL SAM DOMAIN
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		5 / 12 TYR A 110
GLU A 155
ASN A 188
SER A 210
ARG A 222
 SAM  A 504 (-4.8A)
SAM  A 504 (-3.7A)
SF4  A 502 ( 4.3A)
SAM  A 504 (-2.5A)
SF4  A 502 ( 3.6A)
 0.21A 4k39A-5wggA:
31.1		 4k39A-5wggA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_A_ACTA505_0
(RNA POLYMERASE
3D-POL)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		3 / 3 CYH A  76
ASN A  79
LYS A  34
 SF4  A   1 (-2.2A)
None
None
 1.15A 4k50A-1e08A:
0.0		 4k50A-1e08A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_A_ACTA505_0
(RNA POLYMERASE
3D-POL)		 3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
(Escherichia
coli) 		3 / 3 CYH B 244
ASN B  42
LYS B 231
 SF4  B 803 (-2.2A)
SF4  B 803 (-4.9A)
None
 1.38A 4k50A-3egwB:
1.8		 4k50A-3egwB:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_A_ACTA505_0
(RNA POLYMERASE
3D-POL)		 3lzd DPH2
(Pyrococcus
horikoshii) 		3 / 3 CYH A  59
ASN A  55
LYS A 238
 SF4  A 343 (-2.3A)
None
None
 1.27A 4k50A-3lzdA:
undetectable		 4k50A-3lzdA:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA
(Archaeoglobus
fulgidus) 		4 / 6 GLY B 136
ILE B 138
GLN B 135
SER B 148
 SF4  B 585 ( 4.9A)
None
SRM  A 580 (-3.5A)
None
 1.00A 4kcnA-3mm5B:
undetectable		 4kcnA-3mm5B:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE
(Escherichia
coli) 		3 / 3 LEU A 214
PRO A 215
ARG A 149
 None
None
SF4  A 500 (-4.5A)
 0.44A 4klrB-1oltA:
undetectable		 4klrB-1oltA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KMM_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3o3m BETA SUBUNIT
2-HYDROXYACYL-COA
DEHYDRATASE
(Clostridioides
difficile) 		4 / 7 MET B 322
PRO B 327
SER B 292
MET B  98
 None
SF4  B 386 ( 4.5A)
None
None
 1.49A 4kmmA-3o3mB:
undetectable		 4kmmA-3o3mB:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3o3m BETA SUBUNIT
2-HYDROXYACYL-COA
DEHYDRATASE
(Clostridioides
difficile) 		4 / 5 MET B 322
LEU B 238
PRO B 327
SER B 292
 None
None
SF4  B 386 ( 4.5A)
None
 1.42A 4kmmB-3o3mB:
undetectable		 4kmmB-3o3mB:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		 2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Thermosynechococ
cus
elongatus) 		3 / 3 GLY A 138
GLU A 110
THR A 106
 SF4  A 602 (-3.6A)
None
SF4  A 602 ( 3.6A)
 0.57A 4kouA-2xdqA:
undetectable		 4kouA-2xdqA:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_486A302_1
(ANCESTRAL STEROID
RECEPTOR 2)		 5ldw NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
8, MITOCHONDRIAL
(Bos
taurus) 		5 / 12 LEU I 155
LEU I  82
ILE I 131
ILE I 111
ALA I  91
 None
SF4  I 202 ( 4.2A)
SF4  I 202 (-4.8A)
None
SF4  I 201 ( 4.5A)
 1.08A 4ltwA-5ldwI:
undetectable		 4ltwA-5ldwI:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M11_C_MXMC606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5e44 FNR REGULATOR
(Aliivibrio
fischeri) 		5 / 12 ILE A 143
LEU A 146
ALA A  70
LEU A  68
LEU A 129
 None
None
SF4  A 301 ( 3.8A)
None
None
 1.19A 4m11C-5e44A:
undetectable		 4m11C-5e44A:
18.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M7T_A_SAMA503_0
(BTRN)		 4m7s BTRN
(Bacillus
circulans) 		6 / 11 TYR A  22
TYR A  62
GLU A  64
TYR A  90
THR A 115
HIS A 117
 None
None
None
None
None
SF4  A 502 (-3.8A)
 0.72A 4m7tA-4m7sA:
31.3		 4m7tA-4m7sA:
92.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M93_B_ACTB303_0
(S25-26 FAB (IGG1K)
HEAVY CHAIN
S25-26 FAB (IGG1K)
LIGHT CHAIN)		 3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN
(Azotobacter
vinelandii) 		4 / 5 GLY B  40
SER B  41
ALA B  66
PHE B  38
 None
SF4  A 501 ( 4.6A)
None
None
 0.85A 4m93B-3pdiB:
undetectable
4m93C-3pdiB:
undetectable		 4m93B-3pdiB:
20.44
4m93C-3pdiB:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MM8_A_RFXA603_1
(TRANSPORTER)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		5 / 12 VAL A 110
ALA A 109
GLY A  70
GLY A 381
THR A 260
 PDT  A   4 (-4.3A)
PDT  A   4 ( 3.1A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 3.9A)
None
 1.17A 4mm8A-1e08A:
0.0		 4mm8A-1e08A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
(Thermus
thermophilus) 		5 / 12 GLY 3 294
CYH 3 263
ASN 3 225
GLY 3 224
ASP 3 292
 SF4  3 786 (-3.4A)
SF4  3 786 (-2.2A)
None
None
None
 1.20A 4n09A-3i9v3:
3.8		 4n09A-3i9v3:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_B_ADNB401_1
(ADENOSINE KINASE)		 5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC
(Zea
mays) 		5 / 12 LEU A 497
GLY A 543
CYH A 494
ALA A 496
GLY A 553
 None
SF4  A 701 (-4.4A)
SF4  A 701 ( 2.2A)
SF4  A 701 ( 3.9A)
None
 0.90A 4n09B-5h8yA:
undetectable		 4n09B-5h8yA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_C_ADNC401_1
(ADENOSINE KINASE)		 5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC
(Zea
mays) 		5 / 12 LEU A 497
GLY A 543
CYH A 494
ALA A 496
GLY A 553
 None
SF4  A 701 (-4.4A)
SF4  A 701 ( 2.2A)
SF4  A 701 ( 3.9A)
None
 0.90A 4n09C-5h8yA:
undetectable		 4n09C-5h8yA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC
(Zea
mays) 		5 / 12 LEU A 497
GLY A 543
CYH A 494
ALA A 496
GLY A 553
 None
SF4  A 701 (-4.4A)
SF4  A 701 ( 2.2A)
SF4  A 701 ( 3.9A)
None
 0.91A 4n09D-5h8yA:
undetectable		 4n09D-5h8yA:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJG_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.44A 4njgA-4njiA:
38.8		 4njgA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJG_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		5 / 12 GLU A  15
THR A  90
GLU A  93
ASN A 118
GLN A 202
 2K8  A 303 (-3.6A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.3A)
 1.30A 4njgA-4njiA:
38.8		 4njgA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJG_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
ASN A 118
SER A 133
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-2.8A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.42A 4njgB-4njiA:
38.8		 4njgB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJG_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		5 / 12 GLU A  15
THR A  90
GLU A  93
ASN A 118
GLN A 202
 2K8  A 303 (-3.6A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.3A)
 1.29A 4njgB-4njiA:
38.8		 4njgB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJH_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.09A 4njhA-4njiA:
39.7		 4njhA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJH_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.09A 4njhB-4njiA:
39.5		 4njhB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJI_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.04A 4njiA-4njiA:
40.7		 4njiA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJI_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.10A 4njiB-4njiA:
39.5		 4njiB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJJ_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.12A 4njjA-4njiA:
39.2		 4njjA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJJ_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.13A 4njjB-4njiA:
39.1		 4njjB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJJ_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		6 / 12 GLU A  15
THR A  51
THR A  90
GLU A  93
ASN A 118
GLN A 173
 2K8  A 303 (-3.6A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-4.0A)
 1.45A 4njjB-4njiA:
39.1		 4njjB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJK_A_SAMA302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.13A 4njkA-4njiA:
39.6		 4njkA-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJK_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		12 / 12 GLU A  15
ASP A  50
THR A  51
THR A  90
GLU A  93
GLU A 116
ASN A 118
LYS A 149
VAL A 151
GLN A 173
ASP A 176
GLN A 202
 2K8  A 303 (-3.6A)
SAM  A 302 (-3.5A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
2K8  A 303 ( 3.9A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-3.7A)
SAM  A 302 (-4.5A)
SAM  A 302 (-4.0A)
None
SAM  A 302 (-3.3A)
 0.14A 4njkB-4njiA:
39.4		 4njkB-4njiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4NJK_B_SAMB302_0
(7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE)		 4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE
(Burkholderia
multivorans) 		6 / 12 GLU A  15
THR A  51
THR A  90
GLU A  93
ASN A 118
GLN A 173
 2K8  A 303 (-3.6A)
MG  A 304 ( 3.5A)
2K8  A 303 ( 2.9A)
SAM  A 302 (-4.2A)
SF4  A 301 ( 4.2A)
SAM  A 302 (-4.0A)
 1.38A 4njkB-4njiA:
39.4		 4njkB-4njiA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJV_A_RITA500_2
(PROTEASE)		 1ir0 FERREDOXIN
(Bacillus
thermoproteolyti
cus) 		5 / 11 GLY A  60
VAL A   6
GLY A  18
THR A   4
ILE A  66
 None
SF4  A  82 ( 4.6A)
None
None
SF4  A  82 (-4.8A)
 0.93A 4njvB-1ir0A:
undetectable		 4njvB-1ir0A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NJV_D_RITD500_1
(PROTEASE)		 1ir0 FERREDOXIN
(Bacillus
thermoproteolyti
cus) 		5 / 11 GLY A  60
VAL A   6
GLY A  18
THR A   4
ILE A  66
 None
SF4  A  82 ( 4.6A)
None
None
SF4  A  82 (-4.8A)
 0.95A 4njvC-1ir0A:
undetectable		 4njvC-1ir0A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NPT_A_017A401_1
(PROTEASE)		 1ps9 2,4-DIENOYL-COA
REDUCTASE
(Escherichia
coli) 		5 / 9 ALA A 657
GLY A 410
ILE A 414
THR A 427
ILE A 335
 FAD  A 701 (-3.1A)
FAD  A 701 (-2.9A)
FAD  A 701 (-3.9A)
None
SF4  A 700 (-4.8A)
 1.14A 4nptA-1ps9A:
0.0		 4nptA-1ps9A:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		5 / 12 ILE A 492
LEU B 155
GLY B 177
SER A 478
ILE B 178
 None
None
None
SF4  A 601 (-3.5A)
None
 1.20A 4o1eA-5xfaA:
undetectable		 4o1eA-5xfaA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_B_GCSB302_1
(CHITOSANASE)		 2goy ADENOSINE
PHOSPHOSULFATE
REDUCTASE
(Pseudomonas
aeruginosa) 		4 / 5 ARG A  89
THR A  87
ASP A  86
TYR A  95
 None
SF4  A 301 ( 4.1A)
None
None
 1.44A 4oltB-2goyA:
undetectable		 4oltB-2goyA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		 1yq3 SUCCINATE
DEHYDROGENASE IP
SUBUNIT
(Gallus
gallus) 		5 / 9 ALA B 162
ALA B 182
LEU B 229
LEU B 160
SER B  72
 None
SF4  B1003 ( 3.7A)
SF4  B1003 ( 4.7A)
None
FES  B1002 ( 4.6A)
 1.13A 4or0B-1yq3B:
undetectable		 4or0B-1yq3B:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		 3aeb SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
(Sus
scrofa) 		5 / 9 ALA B 162
ALA B 182
LEU B 229
LEU B 160
SER B  72
 None
SF4  B 303 (-3.6A)
SF4  B 303 ( 4.5A)
None
None
 1.11A 4or0B-3aebB:
undetectable		 4or0B-3aebB:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P65_A_IPHA101_0
(INSULIN)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		5 / 10 CYH A 156
LEU A 209
CYH A 194
LEU A 203
ALA A 202
 B12  A 503 ( 4.5A)
B12  A 503 ( 3.9A)
SF4  A 501 (-2.2A)
SF4  A 502 ( 4.6A)
SF4  A 502 ( 3.9A)
 1.07A 4p65A-5t8yA:
undetectable
4p65B-5t8yA:
undetectable
4p65F-5t8yA:
undetectable
4p65H-5t8yA:
undetectable		 4p65A-5t8yA:
3.62
4p65B-5t8yA:
5.66
4p65F-5t8yA:
5.66
4p65H-5t8yA:
5.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P65_C_IPHC101_0
(INSULIN)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		5 / 11 CYH A 156
LEU A 209
CYH A 194
LEU A 203
ALA A 202
 B12  A 503 ( 4.5A)
B12  A 503 ( 3.9A)
SF4  A 501 (-2.2A)
SF4  A 502 ( 4.6A)
SF4  A 502 ( 3.9A)
 1.06A 4p65C-5t8yA:
undetectable
4p65D-5t8yA:
undetectable
4p65J-5t8yA:
undetectable
4p65L-5t8yA:
undetectable		 4p65C-5t8yA:
3.62
4p65D-5t8yA:
5.66
4p65J-5t8yA:
5.66
4p65L-5t8yA:
5.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PB1_A_RBVA501_1
(NUPC FAMILY PROTEIN)		 1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA
(Mycobacterium
tuberculosis) 		5 / 12 GLN A 471
LEU A 501
ASN A 459
ASN A 461
SER A 466
 None
None
None
SF4  A 556 ( 4.9A)
None
 1.37A 4pb1A-1zj9A:
undetectable		 4pb1A-1zj9A:
25.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PL1_A_SAMA401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		7 / 11 PHE B 131
GLU B 180
PRO B 181
SER B 211
HIS B 235
ILE B 309
TRP B 311
 SF4  B 401 ( 4.6A)
SF4  B 401 ( 4.8A)
None
None
None
None
None
 0.64A 4pl1A-4pl2B:
50.8		 4pl1A-4pl2B:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PL1_A_SAMA401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		7 / 11 PHE B 131
GLU B 180
PRO B 181
SER B 211
SER B 233
HIS B 235
ILE B 309
 SF4  B 401 ( 4.6A)
SF4  B 401 ( 4.8A)
None
None
SF4  B 401 ( 4.8A)
None
None
 0.48A 4pl1A-4pl2B:
50.8		 4pl1A-4pl2B:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PL1_A_SAMA401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		5 / 11 PHE B 131
HIS B 235
GLU B 278
ILE B 309
TRP B 311
 SF4  B 401 ( 4.6A)
None
None
None
None
 0.99A 4pl1A-4pl2B:
50.8		 4pl1A-4pl2B:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PL1_A_SAMA401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		7 / 11 PHE B 131
MET B 176
GLU B 180
PRO B 181
SER B 211
SER B 233
ILE B 309
 SF4  B 401 ( 4.6A)
None
SF4  B 401 ( 4.8A)
None
None
SF4  B 401 ( 4.8A)
None
 0.72A 4pl1A-4pl2B:
50.8		 4pl1A-4pl2B:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PL1_A_SAMA401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		5 / 11 PHE B 131
MET B 176
SER B 233
GLU B 278
ILE B 309
 SF4  B 401 ( 4.6A)
None
SF4  B 401 ( 4.8A)
None
None
 1.16A 4pl1A-4pl2B:
50.8		 4pl1A-4pl2B:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PL1_A_SAMA401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		5 / 11 PHE B 131
SER B 233
HIS B 235
GLU B 278
ILE B 309
 SF4  B 401 ( 4.6A)
SF4  B 401 ( 4.8A)
None
None
None
 0.91A 4pl1A-4pl2B:
50.8		 4pl1A-4pl2B:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PL1_B_SAMB401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		6 / 10 CYH B 132
GLU B 180
PRO B 181
SER B 211
HIS B 235
TRP B 311
 SF4  B 401 (-2.1A)
SF4  B 401 ( 4.8A)
None
None
None
None
 0.59A 4pl1B-4pl2B:
52.7		 4pl1B-4pl2B:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PL1_B_SAMB401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		6 / 10 CYH B 132
GLU B 180
PRO B 181
SER B 211
SER B 233
HIS B 235
 SF4  B 401 (-2.1A)
SF4  B 401 ( 4.8A)
None
None
SF4  B 401 ( 4.8A)
None
 0.52A 4pl1B-4pl2B:
52.7		 4pl1B-4pl2B:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PL1_B_SAMB401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		6 / 10 CYH B 132
MET B 176
GLU B 180
PRO B 181
SER B 211
SER B 233
 SF4  B 401 (-2.1A)
None
SF4  B 401 ( 4.8A)
None
None
SF4  B 401 ( 4.8A)
 0.70A 4pl1B-4pl2B:
52.7		 4pl1B-4pl2B:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PL1_B_SAMB401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 5hr6 RLMN METHYLASE
(Escherichia
coli) 		9 / 10 CYH A 132
MET A 176
GLU A 180
PRO A 181
SER A 211
SER A 233
HIS A 235
TRP A 311
ASN A 312
 SF4  A 502 ( 2.2A)
A  C  37 ( 3.7A)
MET  A 501 (-4.0A)
MET  A 501 ( 4.9A)
MET  A 501 (-2.5A)
MET  A 501 ( 2.6A)
5AD  A 503 (-3.7A)
5AD  A 503 (-4.0A)
SMC  A 355 (-3.7A)
 0.41A 4pl1B-5hr6A:
51.9		 4pl1B-5hr6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4PL1_B_SAMB401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 5hr6 RLMN METHYLASE
(Escherichia
coli) 		7 / 10 CYH A 132
MET A 176
SER A 233
HIS A 235
GLU A 278
TRP A 311
ASN A 312
 SF4  A 502 ( 2.2A)
A  C  37 ( 3.7A)
MET  A 501 ( 2.6A)
5AD  A 503 (-3.7A)
5AD  A 503 (-3.1A)
5AD  A 503 (-4.0A)
SMC  A 355 (-3.7A)
 0.85A 4pl1B-5hr6A:
51.9		 4pl1B-5hr6A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PL1_B_SAMB401_0
(DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN)		 5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2
(Mus
musculus) 		5 / 10 CYH A  88
GLU A 127
PRO A 128
HIS A 201
ASN A 226
 SF4  A 401 (-2.4A)
SAH  A 402 (-4.3A)
None
None
None
 1.38A 4pl1B-5vslA:
16.3		 4pl1B-5vslA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1X_A_017A101_2
(ASPARTYL PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.84A 4q1xB-2ynmA:
undetectable		 4q1xB-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1Y_A_017A106_2
(ASPARTYL PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.89A 4q1yB-2ynmA:
undetectable		 4q1yB-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOI_A_ML1A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens) 		4 / 8 PHE A 154
TYR A 642
ASN A 707
ILE A 507
 None
None
None
SF4  A1000 ( 3.8A)
 0.81A 4qoiA-2b3xA:
undetectable
4qoiB-2b3xA:
undetectable		 4qoiA-2b3xA:
13.96
4qoiB-2b3xA:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		5 / 12 GLU A 364
CYH A 318
ARG A 317
ALA A 400
ASP A 401
 None
SF4  A 801 (-2.2A)
None
None
None
 1.13A 4qrcA-5ul4A:
undetectable		 4qrcA-5ul4A:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVN_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 CYH C 225
GLY C 145
THR C 144
ALA C 142
CYH C  52
 SF4  C 401 (-2.3A)
None
5SR  C 402 (-3.6A)
5SR  C 402 (-3.2A)
SF4  C 401 ( 2.3A)
 1.47A 4qvnH-5exeC:
undetectable
4qvnI-5exeC:
undetectable		 4qvnH-5exeC:
22.49
4qvnI-5exeC:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 CYH C 225
GLY C 145
THR C 144
ALA C 142
CYH C  52
 SF4  C 401 (-2.3A)
None
5SR  C 402 (-3.6A)
5SR  C 402 (-3.2A)
SF4  C 401 ( 2.3A)
 1.46A 4qvqH-5exeC:
undetectable
4qvqI-5exeC:
undetectable		 4qvqH-5exeC:
22.49
4qvqI-5exeC:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA
(Moorella
thermoacetica) 		5 / 11 CYH C 225
GLY C 145
THR C 144
ALA C 142
CYH C  52
 SF4  C 401 (-2.3A)
None
5SR  C 402 (-3.6A)
5SR  C 402 (-3.2A)
SF4  C 401 ( 2.3A)
 1.47A 4qvqV-5exeC:
undetectable
4qvqW-5exeC:
undetectable		 4qvqV-5exeC:
22.49
4qvqW-5exeC:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 6elq CARBON MONOXIDE
DEHYDROGENASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 THR X  77
CYH X  47
ALA X  73
ALA X  71
CYH X  69
 None
SF4  X 701 (-2.3A)
None
SF4  X 701 ( 4.2A)
SF4  X 701 (-2.2A)
 1.06A 4qw1H-6elqX:
undetectable
4qw1I-6elqX:
undetectable		 4qw1H-6elqX:
15.95
4qw1I-6elqX:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW1_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 6elq CARBON MONOXIDE
DEHYDROGENASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 THR X  77
CYH X  47
ALA X  73
ALA X  71
CYH X  69
 None
SF4  X 701 (-2.3A)
None
SF4  X 701 ( 4.2A)
SF4  X 701 (-2.2A)
 1.06A 4qw1V-6elqX:
undetectable
4qw1W-6elqX:
undetectable		 4qw1V-6elqX:
15.95
4qw1W-6elqX:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_A_GCSA302_1
(CHITOSANASE)		 2goy ADENOSINE
PHOSPHOSULFATE
REDUCTASE
(Pseudomonas
aeruginosa) 		4 / 5 ARG A  89
THR A  87
ASP A  86
TYR A  95
 None
SF4  A 301 ( 4.1A)
None
None
 1.47A 4qwpA-2goyA:
undetectable		 4qwpA-2goyA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QYQ_A_3CJA607_1
(LACTOPEROXIDASE)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
(Methanothermococ
cus
thermolithotroph
icus) 		3 / 3 GLN F  65
HIS F 163
ARG F  59
 None
SF4  E 302 (-4.5A)
None
 1.25A 4qyqA-5odrF:
undetectable		 4qyqA-5odrF:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9
(Thermus
thermophilus) 		4 / 8 ILE 9  68
GLU 9 105
THR 9  44
VAL 9 138
 SF4  9 183 (-4.8A)
None
None
None
 0.84A 4r20A-3i9v9:
undetectable		 4r20A-3i9v9:
15.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RP8_C_ASCC501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
(Methanothermobac
ter
marburgensis) 		5 / 12 LEU B 199
ILE B 254
GLN B 258
ALA B 134
ILE B 177
 None
SF4  B1275 ( 4.6A)
None
None
None
 1.21A 4rp8C-4ci0B:
undetectable		 4rp8C-4ci0B:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		 4r33 NOSL
(Streptomyces
actuosus) 		7 / 12 CYH A 102
ASN A 175
PHE A 202
LYS A 224
LEU A 250
ALA A 288
PHE A 364
 SF4  A 502 (-2.4A)
SAH  A 501 (-3.9A)
SAH  A 501 ( 4.6A)
SAH  A 501 ( 2.8A)
SAH  A 501 ( 3.6A)
SAH  A 501 ( 3.7A)
SAH  A 501 ( 3.8A)
 0.70A 4rtbA-4r33A:
39.7		 4rtbA-4r33A:
29.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		 4rtb HYDG PROTEIN
(Carboxydothermus
hydrogenoformans) 		6 / 12 TYR A  94
CYH A  95
LYS A 205
LEU A 234
LEU A 267
ALA A 270
 SAM  A 501 (-4.5A)
SF4  A 502 ( 2.7A)
SAM  A 501 (-3.3A)
None
SAM  A 501 (-4.4A)
SAM  A 501 ( 3.7A)
 1.43A 4rtbA-4rtbA:
71.5		 4rtbA-4rtbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		 4rtb HYDG PROTEIN
(Carboxydothermus
hydrogenoformans) 		12 / 12 TYR A  94
CYH A  95
VAL A 132
ASN A 164
LEU A 186
PHE A 187
LYS A 205
LEU A 231
LEU A 267
LYS A 268
ALA A 270
PHE A 347
 SAM  A 501 (-4.5A)
SF4  A 502 ( 2.7A)
SAM  A 501 (-4.8A)
SAM  A 501 (-3.5A)
None
SAM  A 501 (-4.3A)
SAM  A 501 (-3.3A)
SAM  A 501 (-4.1A)
SAM  A 501 (-4.4A)
None
SAM  A 501 ( 3.7A)
SAM  A 501 (-4.8A)
 0.01A 4rtbA-4rtbA:
71.5		 4rtbA-4rtbA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		9 / 12 TYR A  96
CYH A  97
ASN A 169
LEU A 191
PHE A 192
LYS A 210
LEU A 236
LEU A 272
ALA A 275
 None
SF4  A 501 (-2.1A)
MET  A 503 (-3.2A)
None
None
SF4  A 501 (-3.3A)
None
None
None
 0.66A 4rtbA-4wcxA:
47.7		 4rtbA-4wcxA:
43.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens) 		4 / 5 ILE A 177
VAL A 123
PHE A 147
HIS A 207
 None
None
None
SF4  A1000 (-4.1A)
 1.15A 4rzvA-2b3xA:
undetectable		 4rzvA-2b3xA:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9
(Thermus
thermophilus) 		4 / 5 ILE 9  68
VAL 9  70
CYH 9 108
HIS 9  41
 SF4  9 183 (-4.8A)
None
SF4  9 184 (-2.3A)
SF4  9 183 (-4.5A)
 1.09A 4rzvA-3i9v9:
undetectable		 4rzvA-3i9v9:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UAC_A_ACRA501_2
(CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT1 FAMILY
(TC 3.A.1.1.-))		 1hfe PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(LARGER SUBUNIT))
PROTEIN (FE-ONLY
HYDROGENASE
(E.C.1.18.99.1)
(SMALLER SUBUNIT))
(Desulfovibrio
vulgaris) 		4 / 7 PRO L 180
GLU L 240
ASP S  54
THR L 290
 SF4  L 424 (-4.3A)
None
None
None
 1.12A 4uacA-1hfeL:
0.1		 4uacA-1hfeL:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 2gep SULFITE REDUCTASE
HEMOPROTEIN
(Escherichia
coli) 		5 / 12 GLY A 484
GLY A 482
ASN A 481
ALA A 394
THR A 393
 None
SF4  A 575 (-4.2A)
SRM  A 580 ( 3.5A)
None
None
 1.01A 4uckB-2gepA:
undetectable		 4uckB-2gepA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4g38 SULFITE REDUCTASE
[NADPH] HEMOPROTEIN
BETA-COMPONENT
(Escherichia
coli) 		5 / 12 GLY A 484
GLY A 482
ASN A 481
ALA A 394
THR A 393
 None
SF4  A 603 ( 4.3A)
SRM  A 604 ( 3.4A)
None
None
 1.04A 4uckB-4g38A:
undetectable		 4uckB-4g38A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UGL_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 105
THR B  43
TRP B  42
 None
None
SF4  B1359 (-4.5A)
 1.15A 4uglA-2ivfA:
undetectable		 4uglA-2ivfA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UYM_B_VORB590_1
(14-ALPHA STEROL
DEMETHYLASE)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		4 / 7 TYR A 539
ALA A 682
ILE A 346
LEU A 428
 None
None
SF4  A1732 (-4.5A)
None
 0.81A 4uymB-1o94A:
0.0		 4uymB-1o94A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		4 / 5 GLY A 387
THR A  74
GLY A  70
GLU A  83
 None
None
SF4  A   2 (-3.8A)
None
 1.18A 4v20A-1e08A:
0.0		 4v20A-1e08A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5N_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E
(Clostridium
aminobutyricum) 		3 / 3 VAL A 104
ALA A 148
PHE A 288
 SF4  A 491 ( 4.7A)
None
None
 0.86A 4w5nA-1u8vA:
undetectable		 4w5nA-1u8vA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5O_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
(Pyrococcus
furiosus) 		4 / 7 CYH J  38
ILE J  40
PRO J 134
ILE J 139
 SF4  J 201 (-3.0A)
None
None
None
 1.04A 4w5oA-6cfwJ:
undetectable		 4w5oA-6cfwJ:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WCX_C_SAMC503_0
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 4rtb HYDG PROTEIN
(Carboxydothermus
hydrogenoformans) 		8 / 12 TYR A  94
GLY A 134
GLU A 135
PHE A 187
LEU A 231
PRO A 265
LEU A 267
ALA A 270
 SAM  A 501 (-4.5A)
SF4  A 502 ( 3.9A)
None
SAM  A 501 (-4.3A)
SAM  A 501 (-4.1A)
None
SAM  A 501 (-4.4A)
SAM  A 501 ( 3.7A)
 0.39A 4wcxC-4rtbA:
46.2		 4wcxC-4rtbA:
43.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WCX_C_SAMC503_1
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 2a5h L-LYSINE
2,3-AMINOMUTASE
(Clostridium
subterminale) 		4 / 6 CYH A 129
ASN A 266
LEU A 275
GLU A 236
 SF4  A 418 (-2.3A)
None
None
None
 1.30A 4wcxC-2a5hA:
11.2		 4wcxC-2a5hA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WCX_C_SAMC503_1
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 6 CYH B  28
ASN B 129
LEU A 867
TYR B 146
 SF4  B1358 (-2.2A)
None
None
None
 1.16A 4wcxC-2ivfB:
undetectable		 4wcxC-2ivfB:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WCX_C_SAMC503_1
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 4r33 NOSL
(Streptomyces
actuosus) 		4 / 6 CYH A 102
ASN A 175
GLU A 204
LYS A 224
 SF4  A 502 (-2.4A)
SAH  A 501 (-3.9A)
SAH  A 501 (-2.7A)
SAH  A 501 ( 2.8A)
 0.50A 4wcxC-4r33A:
38.1		 4wcxC-4r33A:
29.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WCX_C_SAMC503_1
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 4rtb HYDG PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 6 CYH A  95
ASN A 164
LEU A 186
GLU A 189
LYS A 205
 SF4  A 502 ( 2.7A)
SAM  A 501 (-3.5A)
None
SAM  A 501 (-2.4A)
SAM  A 501 (-3.3A)
 0.40A 4wcxC-4rtbA:
46.2		 4wcxC-4rtbA:
43.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WCX_C_SAMC503_1
(BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		5 / 6 CYH A  97
ASN A 169
LEU A 191
GLU A 194
LYS A 210
 SF4  A 501 (-2.1A)
MET  A 503 (-3.2A)
None
SF4  A 501 ( 4.9A)
SF4  A 501 (-3.3A)
 0.26A 4wcxC-4wcxA:
61.1		 4wcxC-4wcxA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		 2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN
(Deinococcus
radiodurans) 		5 / 10 GLY A  52
GLU A  50
GLN A  55
ALA A 449
ALA A 451
 None
None
None
None
SF4  A 650 ( 4.5A)
 1.32A 4wnuD-2jh3A:
undetectable		 4wnuD-2jh3A:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 PHE C 384
GLY C  18
LEU C  19
VAL C  36
THR C  62
 PMR  C1414 (-4.3A)
None
SF4  C1413 (-4.3A)
None
None
 1.19A 4wnwA-2ynmC:
undetectable		 4wnwA-2ynmC:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE
(Sus
scrofa) 		4 / 6 PRO A 512
ILE A 568
VAL A 532
PHE A 527
 None
None
SF4  A 610 ( 4.3A)
None
 1.19A 4xe5A-2gmhA:
2.9		 4xe5A-2gmhA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 6cza
() 		4 / 6 PRO B 184
ILE A 229
VAL A 745
PHE B 228
 SF4  B 301 ( 4.8A)
None
None
None
 1.13A 4xe5A-6czaB:
undetectable		 4xe5A-6czaB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XMF_A_HSMA202_1
(NITROPHORIN-7)		 2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Thermosynechococ
cus
elongatus) 		3 / 3 ASP B  36
LEU A 139
GLY A 138
 SF4  A 602 (-2.8A)
None
SF4  A 602 (-3.6A)
 0.47A 4xmfA-2xdqB:
undetectable		 4xmfA-2xdqB:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		 3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
(Moorella
thermoacetica) 		4 / 6 ARG A 488
ASP A 489
VAL A 531
ASP A 535
 None
None
SF4  A 738 (-4.2A)
None
 0.92A 4xqeA-3gitA:
undetectable		 4xqeA-3gitA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
(Moorella
thermoacetica) 		4 / 6 ARG A 488
ASP A 489
VAL A 531
ASP A 535
 None
None
SF4  A 738 (-4.2A)
None
 0.88A 4xqeB-3gitA:
undetectable		 4xqeB-3gitA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
(Moorella
thermoacetica) 		4 / 8 ARG A 488
ASP A 489
VAL A 531
ASP A 535
 None
None
SF4  A 738 (-4.2A)
None
 0.88A 4xqgA-3gitA:
undetectable		 4xqgA-3gitA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
(Moorella
thermoacetica) 		4 / 8 ARG A 488
ASP A 489
VAL A 531
ASP A 535
 None
None
SF4  A 738 (-4.2A)
None
 0.89A 4xqgB-3gitA:
undetectable		 4xqgB-3gitA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE
(Sus
scrofa) 		4 / 7 GLU A 335
ILE A 240
CYH A 556
ILE A 561
 None
None
SF4  A 610 (-2.2A)
None
 0.97A 4xumA-2gmhA:
undetectable		 4xumA-2gmhA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2
(Thermus
thermophilus;
Thermus
thermophilus) 		5 / 12 LEU 2  31
GLU 2  59
VAL 2  60
ARG 1 196
GLY 1 354
 None
None
None
None
SF4  1 439 (-4.1A)
 1.35A 4ydqA-3i9v2:
undetectable		 4ydqA-3i9v2:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_A_SAMA1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 4zk6 QUINOLINATE SYNTHASE
A
(Pyrococcus
horikoshii) 		5 / 12 GLY A  57
TYR A  23
SER A  38
ALA A  62
GLU A  63
 None
SF4  A 401 (-4.8A)
NTM  A 402 ( 2.5A)
None
None
 1.28A 4ymgA-4zk6A:
undetectable		 4ymgA-4zk6A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z3O_F_MFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE
E-SITE DNA)		 5kh0 SMALL GTP-BINDING
PROTEIN
(Thermosipho
melanesiensis) 		4 / 5 ARG A 314
ARG A 309
GLY A 308
GLU A 296
 None
None
None
SF4  A 401 (-3.9A)
 1.25A 4z3oA-5kh0A:
3.8
4z3oB-5kh0A:
2.4		 4z3oA-5kh0A:
20.58
4z3oB-5kh0A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4E_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
(Pyrococcus
furiosus) 		4 / 7 CYH J  38
ILE J  40
PRO J 134
ILE J 139
 SF4  J 201 (-3.0A)
None
None
None
 1.04A 4z4eA-6cfwJ:
3.5		 4z4eA-6cfwJ:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4G_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
(Pyrococcus
furiosus) 		4 / 7 CYH J  38
ILE J  40
PRO J 134
ILE J 139
 SF4  J 201 (-3.0A)
None
None
None
 1.03A 4z4gA-6cfwJ:
2.2		 4z4gA-6cfwJ:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4I_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 6cza

(;
) 		3 / 3 VAL B  13
ALA A 260
PHE B 228
 SF4  B 301 (-4.0A)
None
None
 0.57A 4z4iA-6czaB:
undetectable		 4z4iA-6czaB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 7 ILE A  53
GLY A  46
THR A 630
LEU A 640
 None
SF4  A1764 (-3.7A)
MGD  A1766 (-4.0A)
None
 0.94A 4zdzA-2vpwA:
undetectable		 4zdzA-2vpwA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1e3d [NIFE] HYDROGENASE
SMALL SUBUNIT
(Desulfovibrio
desulfuricans) 		4 / 5 VAL A 242
TYR A 117
ILE A 133
THR A 160
 SF4  A 268 ( 4.6A)
None
None
None
 1.31A 4ze1A-1e3dA:
0.0		 4ze1A-1e3dA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJO_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE
(Bacillus
subtilis) 		5 / 12 SER A 126
ALA A 100
ASP A 387
GLU A 239
THR A 388
 None
None
None
None
SF4  A 466 ( 4.1A)
 1.42A 4zjoA-1ao0A:
0.6		 4zjoA-1ao0A:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZB_C_ACTC401_0
(PROTON-GATED ION
CHANNEL)		 4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A
(Thermotoga
maritima) 		4 / 7 ILE B 442
VAL B  53
ILE B  55
GLU B 117
 SF4  B 502 ( 4.2A)
None
SF4  B 502 ( 4.4A)
SF4  B 502 (-2.5A)
 1.01A 4zzbC-4yryB:
undetectable
4zzbD-4yryB:
undetectable		 4zzbC-4yryB:
20.52
4zzbD-4yryB:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_B_SORB1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
(Cupriavidus
necator;
Cupriavidus
necator) 		4 / 7 ILE C  57
LEU A  30
GLY A  97
GLY A  29
 None
None
SF4  A 503 ( 4.3A)
None
 0.73A 5a06B-5aa5C:
undetectable		 5a06B-5aa5C:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 7 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.37A 5b1aA-3zxsA:
undetectable
5b1aJ-3zxsA:
undetectable		 5b1aA-3zxsA:
22.32
5b1aJ-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 7 PHE A 498
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.30A 5b1bN-3zxsA:
undetectable
5b1bW-3zxsA:
undetectable		 5b1bN-3zxsA:
22.32
5b1bW-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 7 LEU A 455
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.37A 5b3sA-3zxsA:
undetectable
5b3sJ-3zxsA:
undetectable		 5b3sA-3zxsA:
22.32
5b3sJ-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 7 PHE A 498
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.26A 5b3sN-3zxsA:
undetectable
5b3sW-3zxsA:
undetectable		 5b3sN-3zxsA:
22.32
5b3sW-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
(Cupriavidus
necator) 		4 / 5 SER C 190
GLY A  34
THR A  27
GLU A  96
 None
SF4  A 503 ( 3.8A)
None
None
 1.18A 5btiA-5aa5C:
undetectable
5btiB-5aa5C:
undetectable		 5btiA-5aa5C:
21.43
5btiB-5aa5C:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
(Cupriavidus
necator) 		4 / 5 SER C 190
GLY A  34
THR A  27
GLU A  96
 None
SF4  A 503 ( 3.8A)
None
None
 1.21A 5btiC-5aa5C:
undetectable
5btiD-5aa5C:
undetectable		 5btiC-5aa5C:
21.43
5btiD-5aa5C:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_N_EVPN2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		4 / 6 SER G  70
GLU G  69
GLY G  37
GLY G  35
 SF4  G 101 ( 4.4A)
None
None
None
 0.87A 5cdnR-5t5iG:
undetectable
5cdnS-5t5iG:
undetectable		 5cdnR-5t5iG:
12.05
5cdnS-5t5iG:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_O_EVPO2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		4 / 6 SER A 765
GLY A  80
ASP A  82
GLY A  77
 None
None
NA  A1015 ( 4.9A)
SF4  A1001 ( 3.7A)
 0.95A 5cdnC-5chcA:
undetectable
5cdnD-5chcA:
1.9		 5cdnC-5chcA:
19.12
5cdnD-5chcA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDN_P_EVPP2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		4 / 6 SER A 765
GLY A  80
ASP A  82
GLY A  77
 None
None
NA  A1015 ( 4.9A)
SF4  A1001 ( 3.7A)
 0.95A 5cdnT-5chcA:
undetectable
5cdnU-5chcA:
1.7		 5cdnT-5chcA:
19.12
5cdnU-5chcA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDP_H_EVPH2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		4 / 6 SER A 765
GLY A  80
ASP A  82
GLY A  77
 None
None
NA  A1015 ( 4.9A)
SF4  A1001 ( 3.7A)
 0.87A 5cdpA-5chcA:
undetectable
5cdpB-5chcA:
undetectable		 5cdpA-5chcA:
19.18
5cdpB-5chcA:
11.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDP_H_EVPH2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		4 / 6 SER A 716
GLY A 573
ASP A 572
GLY B 559
 None
SF4  A3001 ( 4.0A)
None
None
 0.72A 5cdpA-6fosA:
undetectable
5cdpB-6fosA:
undetectable		 5cdpA-6fosA:
9.84
5cdpB-6fosA:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CDQ_V_MFXV2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		 5kh0 SMALL GTP-BINDING
PROTEIN
(Thermosipho
melanesiensis) 		4 / 5 ARG A 309
GLY A 308
GLU A 296
ARG A 314
 None
None
SF4  A 401 (-3.9A)
None
 1.16A 5cdqR-5kh0A:
undetectable
5cdqS-5kh0A:
2.3
5cdqT-5kh0A:
undetectable		 5cdqR-5kh0A:
24.95
5cdqS-5kh0A:
18.89
5cdqT-5kh0A:
24.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CPR_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
(Methanothermococ
cus
thermolithotroph
icus;
Methanothermococ
cus
thermolithotroph
icus) 		5 / 12 GLU E  57
GLY E  58
SER E  18
CYH F 442
CYH F 445
 SF4  E 302 (-3.8A)
SF4  E 302 ( 4.9A)
None
NFU  F 501 (-2.2A)
NFU  F 501 (-2.4A)
 1.29A 5cprB-5odrE:
undetectable		 5cprB-5odrE:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CPR_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5xfa NAD-REDUCING
HYDROGENASE
NAD-REDUCING
HYDROGENASE
(Hydrogenophilus
thermoluteolus;
Hydrogenophilus
thermoluteolus) 		5 / 12 GLU C  67
GLY C  68
SER C  30
CYH D 462
CYH D 465
 SF4  C 201 ( 3.6A)
SF4  C 201 ( 4.5A)
None
NI  D 502 ( 2.3A)
FCO  D 501 ( 2.3A)
 1.24A 5cprB-5xfaC:
undetectable		 5cprB-5xfaC:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CVT_B_ACTB200_0
(N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 ASN A 409
ALA A 382
ARG A 388
 SF4  A 502 (-4.6A)
SF4  A 502 ( 4.1A)
SF4  A 502 ( 4.7A)
 0.57A 5cvtB-4wcxA:
2.3		 5cvtB-4wcxA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
SULFITE REDUCTASE
BETA SUBUNIT
(Desulfomicrobium
norvegicum) 		5 / 12 THR B  64
THR B 135
GLN B 181
THR B  96
CYH A 225
 None
SRM  A 503 (-4.2A)
None
SRM  A 503 (-2.8A)
SF4  A 502 ( 2.2A)
 1.42A 5d0xH-2xsjB:
undetectable
5d0xI-2xsjB:
undetectable		 5d0xH-2xsjB:
21.48
5d0xI-2xsjB:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		 6elq CARBON MONOXIDE
DEHYDROGENASE
(Carboxydothermus
hydrogenoformans) 		5 / 12 THR X  77
CYH X  47
ALA X  73
ALA X  71
CYH X  69
 None
SF4  X 701 (-2.3A)
None
SF4  X 701 ( 4.2A)
SF4  X 701 (-2.2A)
 1.08A 5d0xH-6elqX:
undetectable
5d0xI-6elqX:
undetectable		 5d0xH-6elqX:
15.95
5d0xI-6elqX:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_S_BEZS801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		4 / 6 PHE C  16
SER C  21
LEU C  19
LEU C  45
 GOL  C1412 ( 3.4A)
None
SF4  C1413 (-4.3A)
SF4  C1413 (-4.0A)
 1.36A 5dzke-2ynmC:
2.4
5dzks-2ynmC:
undetectable		 5dzke-2ynmC:
21.82
5dzks-2ynmC:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 11 GLU A 104
GLN A 106
GLU A 108
GLY A  98
GLY A 123
 None
SF4  A 501 (-4.4A)
None
SF4  A 501 ( 4.4A)
SF4  A 501 ( 4.3A)
 1.21A 5e3iB-5vj7A:
3.4		 5e3iB-5vj7A:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E9Q_A_SAMA301_0
(GENOME POLYPROTEIN)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.10A 5e9qA-1e08A:
undetectable		 5e9qA-1e08A:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E9Q_C_SAMC4000_0
(GENOME POLYPROTEIN)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.20A 5e9qC-1e08A:
undetectable		 5e9qC-1e08A:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E9Q_C_SAMC4000_0
(GENOME POLYPROTEIN)		 5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
(Cupriavidus
necator;
Cupriavidus
necator) 		6 / 12 GLY A  29
GLY A  34
GLY A  97
ASP C  86
VAL C 205
ASP A  33
 None
SF4  A 503 ( 3.8A)
SF4  A 503 ( 4.3A)
None
None
None
 1.46A 5e9qC-5aa5A:
undetectable		 5e9qC-5aa5A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_A_SAMA301_0
(GENOME POLYPROTEIN)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.07A 5ec8A-1e08A:
undetectable		 5ec8A-1e08A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_A_SAMA301_0
(GENOME POLYPROTEIN)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		6 / 12 GLY L 163
GLY L 457
GLY L 459
GLY L 166
VAL L  58
ILE L 453
 FAD  L 503 (-3.2A)
None
None
None
None
SF4  L 501 ( 4.4A)
 1.50A 5ec8A-5jfcL:
4.0		 5ec8A-5jfcL:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_A_SAMA301_0
(GENOME POLYPROTEIN)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		6 / 12 GLY A 163
GLY A 458
GLY A 460
GLY A 166
VAL A  58
ILE A 454
 FAD  A 503 (-3.4A)
None
None
None
None
SF4  A 501 ( 4.3A)
 1.49A 5ec8A-5vj7A:
3.2		 5ec8A-5vj7A:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_C_SAMC4000_0
(GENOME POLYPROTEIN)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.14A 5ec8C-1e08A:
undetectable		 5ec8C-1e08A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEV_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens) 		4 / 8 SER A 779
HIS A 178
HIS A 207
THR A 208
 None
SF4  A1000 (-4.5A)
SF4  A1000 (-4.1A)
None
 0.93A 5eevL-2b3xA:
undetectable
5eevV-2b3xA:
undetectable		 5eevL-2b3xA:
6.19
5eevV-2b3xA:
6.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEW_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens) 		4 / 8 SER A 779
HIS A 178
HIS A 207
THR A 208
 None
SF4  A1000 (-4.5A)
SF4  A1000 (-4.1A)
None
 0.93A 5eewL-2b3xA:
undetectable
5eewV-2b3xA:
undetectable		 5eewL-2b3xA:
6.19
5eewV-2b3xA:
6.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens) 		4 / 8 SER A 779
HIS A 178
HIS A 207
THR A 208
 None
SF4  A1000 (-4.5A)
SF4  A1000 (-4.1A)
None
 0.94A 5ef3L-2b3xA:
undetectable
5ef3V-2b3xA:
undetectable		 5ef3L-2b3xA:
6.19
5ef3V-2b3xA:
6.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 3ayx MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		5 / 12 ASP B 197
HIS B 196
PRO B 233
PHE B 205
TYR B 226
 None
SF4  B 309 (-3.2A)
SF4  B 309 ( 4.5A)
None
None
 1.44A 5ef8A-3ayxB:
undetectable		 5ef8A-3ayxB:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 5a4m HYDROGENASE-1 SMALL
CHAIN
(Escherichia
coli) 		5 / 12 ASP S 188
HIS S 187
PRO S 224
PHE S 196
TYR S 217
 None
SF4  S 401 (-3.0A)
SF4  S 401 ( 4.5A)
None
None
 1.44A 5ef8A-5a4mS:
undetectable		 5ef8A-5a4mS:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 5mdj HOXK
UPTAKE HYDROGENASE
SMALL SUBUNIT
(Cupriavidus
necator) 		5 / 12 ASP S 188
HIS S 187
PRO S 224
PHE S 196
TYR S 217
 None
SF4  S1001 (-3.2A)
SF4  S1001 ( 4.5A)
None
None
 1.45A 5ef8A-5mdjS:
undetectable		 5ef8A-5mdjS:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EHG_A_SAMA301_0
(RNA-DIRECTED RNA
POLYMERASE NS5)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.08A 5ehgA-1e08A:
undetectable		 5ehgA-1e08A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EHG_C_SAMC4001_0
(RNA-DIRECTED RNA
POLYMERASE NS5)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.17A 5ehgC-1e08A:
undetectable		 5ehgC-1e08A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EHG_C_SAMC4001_0
(RNA-DIRECTED RNA
POLYMERASE NS5)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		5 / 12 GLY J  37
GLY J  73
GLU L  21
VAL L 150
ILE J  40
 SF4  J 201 ( 4.6A)
None
None
None
None
 0.92A 5ehgC-6cfwJ:
undetectable		 5ehgC-6cfwJ:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIF_A_SAMA301_0
(GENOME POLYPROTEIN)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.12A 5eifA-1e08A:
undetectable		 5eifA-1e08A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIF_C_SAMC4000_0
(GENOME POLYPROTEIN)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.19A 5eifC-1e08A:
undetectable		 5eifC-1e08A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIW_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		5 / 12 GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.02A 5eiwA-1e08A:
undetectable		 5eiwA-1e08A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EIW_C_SAMC4000_0
(NS5
METHYLTRANSFERASE)		 5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
(Cupriavidus
necator;
Cupriavidus
necator) 		6 / 12 GLY A  29
GLY A  34
GLY A  97
ASP C  86
VAL C 205
ASP A  33
 None
SF4  A 503 ( 3.8A)
SF4  A 503 ( 4.3A)
None
None
None
 1.38A 5eiwC-5aa5A:
undetectable		 5eiwC-5aa5A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EKX_B_SAMB4000_0
(NS5
METHYLTRANSFERASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.12A 5ekxB-1e08A:
undetectable		 5ekxB-1e08A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EML_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 2goy ADENOSINE
PHOSPHOSULFATE
REDUCTASE
(Pseudomonas
aeruginosa) 		5 / 12 PRO A 230
GLY A  88
PRO A 114
LEU A 119
LEU A 128
 SF4  A 301 ( 4.6A)
None
None
None
None
 1.20A 5emlA-2goyA:
3.3		 5emlA-2goyA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ENT_C_MIYC901_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus) 		5 / 9 PHE E  82
GLY E  58
ASN E  65
ILE E  56
ALA E  81
 None
SF4  E 302 ( 4.9A)
None
None
ACT  E 301 ( 4.5A)
 1.39A 5entC-5odrE:
undetectable		 5entC-5odrE:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		 2iv2 FORMATE
DEHYDROGENASE H
(Escherichia
coli) 		5 / 12 GLN X  38
ILE X 183
VAL X 184
GLY X  14
SER X  13
 None
SF4  X 800 (-3.8A)
None
SF4  X 800 ( 4.5A)
SF4  X 800 (-3.6A)
 1.11A 5ergB-2iv2X:
undetectable		 5ergB-2iv2X:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESJ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2vpw THIOSULFATE
REDUCTASE
(Thermus
thermophilus) 		4 / 8 ILE A  53
GLY A  46
THR A 630
LEU A 640
 None
SF4  A1764 (-3.7A)
MGD  A1766 (-4.0A)
None
 0.88A 5esjA-2vpwA:
undetectable		 5esjA-2vpwA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWJ_D_QELD503_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii) 		5 / 12 ALA G  26
ILE G  20
PHE B 166
THR F 321
PRO F 319
 None
None
None
K  F 410 (-4.7A)
SF4  G 102 ( 4.8A)
 1.41A 5ewjC-5t5iG:
undetectable
5ewjD-5t5iG:
undetectable		 5ewjC-5t5iG:
11.24
5ewjD-5t5iG:
12.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT
(Desulfomicrobium
baculatum) 		4 / 6 GLY S  20
THR S  19
VAL S  23
HIS S  46
 SF4  S 303 ( 3.8A)
None
None
None
 1.06A 5ewuA-4ko2S:
undetectable		 5ewuA-4ko2S:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 GLY A  20
THR A  19
VAL A  23
HIS A  46
 SF4  A 303 ( 3.9A)
None
None
None
 1.04A 5ewuA-5jsyA:
undetectable		 5ewuA-5jsyA:
23.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FA8_A_SAMA301_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 237
GLY A 242
ILE A 293
PHE A 499
LEU A 459
 None
None
SF4  A 608 ( 3.5A)
None
None
 0.98A 5fa8A-1aorA:
undetectable		 5fa8A-1aorA:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9
(Thermus
thermophilus;
Thermus
thermophilus) 		5 / 12 VAL 4 324
ILE 9  54
LEU 9  43
LEU 9  58
ALA 9  60
 None
SF4  9 184 (-4.5A)
None
SF4  9 184 ( 4.7A)
None
 1.41A 5fctB-3i9v4:
undetectable		 5fctB-3i9v4:
23.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		5 / 12 CYH A  78
GLY A 148
LEU A 168
ARG A 190
TYR A  66
 SF4  A 991 (-2.3A)
SAM  A 992 ( 3.8A)
None
SAM  A 992 (-3.3A)
None
 0.83A 5fepA-3t7vA:
38.3		 5fepA-3t7vA:
30.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		5 / 12 CYH A  78
SER A 146
GLY A 148
LEU A 168
ARG A 190
 SF4  A 991 (-2.3A)
MD0  A 993 (-2.8A)
SAM  A 992 ( 3.8A)
None
SAM  A 992 (-3.3A)
 0.51A 5fepA-3t7vA:
38.3		 5fepA-3t7vA:
30.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 4jxc FEFE-HYDROGENASE
MATURASE
(Thermotoga
maritima) 		12 / 12 TYR A  69
CYH A  70
GLN A 107
SER A 136
GLY A 138
LEU A 158
ARG A 159
ARG A 180
MET A 199
ILE A 231
TYR A 303
TYR A 306
 SAM  A 402 (-4.6A)
SF4  A 401 (-2.2A)
SAM  A 402 ( 3.8A)
SAM  A 402 (-3.9A)
SAM  A 402 (-3.8A)
None
SAM  A 402 ( 4.2A)
SAM  A 402 (-3.3A)
SAM  A 402 (-3.5A)
SAM  A 402 (-4.4A)
None
SAM  A 402 ( 4.6A)
 0.15A 5fepA-4jxcA:
63.7		 5fepA-4jxcA:
96.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 4rtb HYDG PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 TYR A  94
CYH A  95
LEU A 186
ARG A 211
TYR A  83
 SAM  A 501 (-4.5A)
SF4  A 502 ( 2.7A)
None
SAM  A 501 (-2.7A)
None
 0.95A 5fepA-4rtbA:
34.1		 5fepA-4rtbA:
26.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		5 / 12 CYH A  78
GLY A 148
LEU A 168
ARG A 190
TYR A  66
 SF4  A 991 (-2.3A)
SAM  A 992 ( 3.8A)
None
SAM  A 992 (-3.3A)
None
 0.80A 5fesA-3t7vA:
38.5		 5fesA-3t7vA:
30.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		5 / 12 CYH A  78
SER A 146
GLY A 148
LEU A 168
ARG A 190
 SF4  A 991 (-2.3A)
MD0  A 993 (-2.8A)
SAM  A 992 ( 3.8A)
None
SAM  A 992 (-3.3A)
 0.51A 5fesA-3t7vA:
38.5		 5fesA-3t7vA:
30.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 4jxc FEFE-HYDROGENASE
MATURASE
(Thermotoga
maritima) 		5 / 12 CYH A  67
SER A 136
GLY A 138
ARG A 159
MET A 199
 SF4  A 401 (-2.3A)
SAM  A 402 (-3.9A)
SAM  A 402 (-3.8A)
SAM  A 402 ( 4.2A)
SAM  A 402 (-3.5A)
 1.46A 5fesA-4jxcA:
64.2		 5fesA-4jxcA:
96.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 4jxc FEFE-HYDROGENASE
MATURASE
(Thermotoga
maritima) 		12 / 12 TYR A  69
CYH A  70
GLN A 107
SER A 136
GLY A 138
LEU A 158
ARG A 159
ARG A 180
MET A 199
ILE A 231
TYR A 303
TYR A 306
 SAM  A 402 (-4.6A)
SF4  A 401 (-2.2A)
SAM  A 402 ( 3.8A)
SAM  A 402 (-3.9A)
SAM  A 402 (-3.8A)
None
SAM  A 402 ( 4.2A)
SAM  A 402 (-3.3A)
SAM  A 402 (-3.5A)
SAM  A 402 (-4.4A)
None
SAM  A 402 ( 4.6A)
 0.11A 5fesA-4jxcA:
64.2		 5fesA-4jxcA:
96.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 4rtb HYDG PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 TYR A  94
CYH A  95
LEU A 186
ARG A 211
TYR A  83
 SAM  A 501 (-4.5A)
SF4  A 502 ( 2.7A)
None
SAM  A 501 (-2.7A)
None
 0.99A 5fesA-4rtbA:
34.0		 5fesA-4rtbA:
26.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_D_READ602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 GLU M 118
GLY M 115
ASN M  74
CYH M 179
CYH M  64
 None
None
None
SF4  M 802 (-2.7A)
FES  M 803 (-3.2A)
 1.34A 5fhzD-5xtbM:
undetectable		 5fhzD-5xtbM:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G6C_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum) 		3 / 3 ARG A 105
THR B  43
TRP B  42
 None
None
SF4  B1359 (-4.5A)
 1.21A 5g6cA-2ivfA:
undetectable		 5g6cA-2ivfA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GTR_A_ESTA601_2
(ESTROGEN RECEPTOR)		 4uob ENDONUCLEASE III-3
(Deinococcus
radiodurans) 		4 / 5 LEU A 104
LEU A 313
PHE A 100
LEU A 261
 None
SF4  A1329 ( 4.8A)
None
None
 0.93A 5gtrA-4uobA:
undetectable		 5gtrA-4uobA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HGC_A_HCYA501_1
(SERPIN)		 2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN
NRFC PROTEIN
(Thermus
thermophilus) 		5 / 12 VAL B  85
PRO B  87
ALA B  74
ILE B  91
SER C  68
 SF4  B1197 ( 4.8A)
None
SF4  B1197 ( 4.0A)
SF4  B1197 ( 4.3A)
MQ7  C1252 ( 4.9A)
 1.24A 5hgcA-2vpwB:
undetectable		 5hgcA-2vpwB:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HIE_C_P06C801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT
MEMBRANE-BOUND
HYDROGENASE SMALL
SUBUNIT
(Hydrogenovibrio
marinus) 		4 / 7 ILE B 252
VAL A 262
PHE A 261
PHE A 224
 SF4  B 309 ( 4.1A)
None
None
None
 0.99A 5hieC-3ayxB:
undetectable		 5hieC-3ayxB:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HPU_A_IPHA101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		4 / 4 CYH A 156
LEU A 209
LEU A 203
ALA A 202
 B12  A 503 ( 4.5A)
B12  A 503 ( 3.9A)
SF4  A 502 ( 4.6A)
SF4  A 502 ( 3.9A)
 1.03A 5hpuA-5t8yA:
undetectable
5hpuB-5t8yA:
undetectable		 5hpuA-5t8yA:
3.62
5hpuB-5t8yA:
4.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_E_IPHE101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN
(Azospirillum
brasilense) 		4 / 7 CYH G  98
ILE G  93
LEU G 449
ALA G 453
 SF4  G 482 (-2.5A)
None
FAD  G 484 (-3.9A)
FAD  G 484 (-3.6A)
 0.94A 5hrqE-2vdcG:
undetectable
5hrqF-2vdcG:
undetectable
5hrqJ-2vdcG:
undetectable		 5hrqE-2vdcG:
5.84
5hrqF-2vdcG:
5.63
5hrqJ-2vdcG:
5.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_G_IPHG101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		 4c1n CARBON MONOXIDE
DEHYDROGENASE
CORRINOID/IRON-SULFU
R PROTEIN, GAMMA
SUBUNIT
(Carboxydothermus
hydrogenoformans) 		4 / 6 LEU A  53
CYH A  42
HIS A  11
LEU A  12
 None
SF4  A1444 (-2.3A)
None
SF4  A1444 ( 4.5A)
 1.38A 5hrqD-4c1nA:
undetectable
5hrqG-4c1nA:
undetectable
5hrqH-4c1nA:
undetectable		 5hrqD-4c1nA:
7.37
5hrqG-4c1nA:
3.76
5hrqH-4c1nA:
7.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HW8_E_FK5E201_1
(FK506-BINDING
PROTEIN 1)		 1ir0 FERREDOXIN
(Bacillus
thermoproteolyti
cus) 		5 / 11 ASP A  38
PHE A  73
ILE A  66
TYR A  25
ILE A  24
 None
None
SF4  A  82 (-4.8A)
None
None
 1.27A 5hw8E-1ir0A:
undetectable		 5hw8E-1ir0A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWA_A_GCSA303_1
(CHITOSANASE)		 3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
(Archaeoglobus
fulgidus) 		4 / 5 HIS A 290
VAL A 286
GLY A 269
ALA A 270
 None
SF4  A 576 (-4.2A)
None
SF4  A 576 ( 3.7A)
 0.82A 5hwaA-3mm5A:
undetectable		 5hwaA-3mm5A:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HWA_A_GCSA303_1
(CHITOSANASE)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
ALPHA
(Methanothermobac
ter
marburgensis) 		4 / 5 HIS A 150
VAL A 141
GLY A 146
ALA A 145
 SF4  B1274 ( 4.4A)
None
None
None
 0.95A 5hwaA-4ci0A:
1.7		 5hwaA-4ci0A:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 TYR A 546
GLY A  96
GLY A  65
LEU A  66
GLY A 536
 None
MTE  A 702 (-3.0A)
None
None
SF4  A 701 ( 4.3A)
 1.22A 5i71A-4z3yA:
undetectable		 5i71A-4z3yA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 TYR A 546
GLY A  96
GLY A  65
LEU A  66
GLY A 536
 None
MTE  A 702 (-3.0A)
None
None
SF4  A 701 ( 4.3A)
 1.25A 5i75A-4z3yA:
0.5		 5i75A-4z3yA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ICX_E_SC2E1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)		 3a05 TRYPTOPHANYL-TRNA
SYNTHETASE
(Aeropyrum
pernix) 		3 / 3 VAL A 305
GLN A 339
CYH A 337
 SF4  A 373 ( 4.3A)
None
SF4  A 373 (-2.2A)
 0.83A 5icxA-3a05A:
undetectable
5icxE-3a05A:
undetectable		 5icxA-3a05A:
20.93
5icxE-3a05A:
3.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ICX_F_SC2F1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)		 1kqj A/G-SPECIFIC ADENINE
GLYCOSYLASE
(Escherichia
coli) 		3 / 3 VAL A 144
GLN A 205
CYH A 208
 SF4  A 300 ( 4.4A)
None
SF4  A 300 (-2.3A)
 0.83A 5icxC-1kqjA:
undetectable
5icxF-1kqjA:
undetectable		 5icxC-1kqjA:
19.01
5icxF-1kqjA:
6.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEP_A_VDYA201_2
(CDL2.3B)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
(Methanothermobac
ter
marburgensis) 		5 / 9 ILE B 178
PRO B 175
VAL B 257
ILE B 254
LEU B 100
 None
None
None
SF4  B1275 ( 4.6A)
None
 1.46A 5iepA-4ci0B:
undetectable		 5iepA-4ci0B:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKM_A_SAMA311_0
(NS5 METHYL
TRANSFERASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.18A 5ikmA-1e08A:
undetectable		 5ikmA-1e08A:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5INZ_D_DVAD2_0
(THETA DEFENSIN-2,
D-PEPTIDE
THETA DEFENSIN-2,
L-PEPTIDE)		 3a05 TRYPTOPHANYL-TRNA
SYNTHETASE
(Aeropyrum
pernix) 		4 / 4 GLY A 298
CYH A 334
ARG A 287
GLY A 285
 SF4  A 373 ( 4.3A)
SF4  A 373 (-2.3A)
None
SF4  A 373 (-3.6A)
 1.29A 5inzA-3a05A:
undetectable
5inzC-3a05A:
undetectable
5inzD-3a05A:
undetectable		 5inzA-3a05A:
7.14
5inzC-3a05A:
7.14
5inzD-3a05A:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		5 / 7 PHE A 498
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.32A 5iy5N-3zxsA:
undetectable
5iy5W-3zxsA:
undetectable		 5iy5N-3zxsA:
22.32
5iy5W-3zxsA:
8.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IZF_E_AZ1E2_1
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA
6J9-ZEU-DAR-ACA-DAR-
NH2)		 3aeu LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Rhodobacter
capsulatus) 		5 / 7 GLY A 145
GLY A  27
SER A  30
LEU A  55
GLU A 115
 SF4  A 425 (-3.7A)
None
None
None
None
 1.04A 5izfA-3aeuA:
undetectable		 5izfA-3aeuA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)		 1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
gigas) 		5 / 11 VAL A  24
SER A  21
THR A  18
GLU A  73
LEU A  35
 None
None
None
SF4  A 267 ( 4.9A)
None
 1.26A 5jh7B-1yq9A:
3.2		 5jh7B-1yq9A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JH7_D_6K9D502_0
(TUBULIN BETA-2B
CHAIN)		 1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
gigas) 		5 / 11 VAL A  24
SER A  21
THR A  18
GLU A  73
LEU A  35
 None
None
None
SF4  A 267 ( 4.9A)
None
 1.27A 5jh7D-1yq9A:
3.2		 5jh7D-1yq9A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JLI_A_ASCA202_0
(CYTOCHROME C')		 1isu HIGH POTENTIAL IRON
SULFUR PROTEIN
(Rhodocyclus
tenuis) 		4 / 5 ALA A  37
GLY A  53
CYH A  22
LYS A  21
 None
None
SF4  A  63 (-2.2A)
None
 1.45A 5jliA-1isuA:
undetectable		 5jliA-1isuA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JM4_A_BEZA301_0
(14-3-3 PROTEIN
ZETA/DELTA)		 1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE
(Escherichia
coli) 		4 / 5 PHE A  68
ILE A 211
GLN A 179
ARG A 184
 SF4  A 500 ( 4.6A)
SAM  A 501 (-4.3A)
None
SAM  A 501 ( 2.9A)
 1.39A 5jm4A-1oltA:
undetectable		 5jm4A-1oltA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JM4_B_BEZB301_0
(14-3-3 PROTEIN
ZETA/DELTA)		 1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE
(Escherichia
coli) 		4 / 4 PHE A  68
ILE A 211
GLN A 179
ARG A 184
 SF4  A 500 ( 4.6A)
SAM  A 501 (-4.3A)
None
SAM  A 501 ( 2.9A)
 1.47A 5jm4B-1oltA:
0.2		 5jm4B-1oltA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JS1_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		 6cza

(;
) 		3 / 3 VAL B  13
ALA A 260
PHE B 228
 SF4  B 301 (-4.0A)
None
None
 0.57A 5js1A-6czaB:
undetectable		 5js1A-6czaB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JS5_A_ASCA202_0
(CYTOCHROME C')		 5lw7 ABC TRANSPORTER
ATP-BINDING PROTEIN
(Pyrococcus
abyssi) 		3 / 3 CYH B  61
LYS B  64
HIS B  63
 SF4  B 601 (-2.7A)
None
None
 1.22A 5js5A-5lw7B:
undetectable		 5js5A-5lw7B:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JS5_A_ASCA202_0
(CYTOCHROME C')		 5lw7 ABC TRANSPORTER
ATP-BINDING PROTEIN
(Pyrococcus
abyssi) 		3 / 3 CYH B  65
LYS B  64
HIS B  63
 SF4  B 602 (-2.8A)
None
None
 1.17A 5js5A-5lw7B:
undetectable		 5js5A-5lw7B:
13.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JT4_A_ASCA202_0
(CYTOCHROME C')		 1isu HIGH POTENTIAL IRON
SULFUR PROTEIN
(Rhodocyclus
tenuis) 		4 / 5 ALA A  37
GLY A  53
CYH A  22
LYS A  21
 None
None
SF4  A  63 (-2.2A)
None
 1.45A 5jt4A-1isuA:
undetectable		 5jt4A-1isuA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5K50_A_ACTA1403_0
(L-THREONINE
3-DEHYDROGENASE)		 6g72 NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
7, MITOCHONDRIAL
(Mus
musculus) 		4 / 5 SER B 125
VAL B  98
GLY B 100
ALA B 130
 None
None
SF4  B 201 ( 3.7A)
None
 1.02A 5k50A-6g72B:
undetectable		 5k50A-6g72B:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		 3ze6 PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 THR A 243
GLY A 267
GLU A 270
ILE A 127
 SF4  A 285 (-4.3A)
SF4  A 285 ( 4.6A)
None
None
 0.88A 5kmfA-3ze6A:
undetectable
5kmfC-3ze6A:
undetectable		 5kmfA-3ze6A:
20.38
5kmfC-3ze6A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		 4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT
(Desulfomicrobium
baculatum) 		4 / 6 THR S 242
GLY S 266
GLU S 269
ILE S 132
 SF4  S 302 (-4.4A)
SF4  S 302 ( 4.5A)
None
None
 0.89A 5kmfA-4ko2S:
undetectable
5kmfC-4ko2S:
undetectable		 5kmfA-4ko2S:
22.36
5kmfC-4ko2S:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		 5jsy PERIPLASMIC [NIFESE]
HYDROGENASE, SMALL
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 6 THR A 243
GLY A 267
GLU A 270
ILE A 127
 SF4  A 302 (-4.3A)
SF4  A 302 ( 4.6A)
None
None
 0.89A 5kmfA-5jsyA:
undetectable
5kmfC-5jsyA:
undetectable		 5kmfA-5jsyA:
19.82
5kmfC-5jsyA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQS_A_SAMA307_0
(GENOME POLYPROTEIN)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.15A 5kqsA-1e08A:
undetectable		 5kqsA-1e08A:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQY_B_017B101_1
(PROTEASE E35D-DRV)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.94A 5kqyA-2ynmA:
undetectable		 5kqyA-2ynmA:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KR0_A_478A101_1
(PROTEASE E35D-APV)		 4yry DIHYDROPYRIMIDINE
DEHYDROGENASE
SUBUNIT A
(Thermotoga
maritima) 		5 / 9 ILE B 113
GLY B  87
PRO B  52
VAL B  53
ILE B  55
 SF4  B 502 ( 4.8A)
None
SF4  B 502 ( 4.9A)
None
SF4  B 502 ( 4.4A)
 1.04A 5kr0A-4yryB:
undetectable		 5kr0A-4yryB:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KR0_A_478A101_1
(PROTEASE E35D-APV)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 9 ILE L 122
GLY L  98
PRO L  57
VAL L  58
ILE L  60
 SF4  L 501 ( 4.6A)
SF4  L 501 ( 4.5A)
None
None
SF4  L 501 ( 4.4A)
 1.05A 5kr0A-5jfcL:
undetectable		 5kr0A-5jfcL:
11.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KR0_A_478A101_1
(PROTEASE E35D-APV)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 9 ILE A 122
GLY A  98
PRO A  57
VAL A  58
ILE A  60
 SF4  A 501 ( 4.7A)
SF4  A 501 ( 4.4A)
None
None
SF4  A 501 ( 4.6A)
 1.09A 5kr0A-5vj7A:
undetectable		 5kr0A-5vj7A:
12.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KR2_C_ROCC101_2
(PROTEASE PR5-SQV)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
wolfeii) 		5 / 9 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
 None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
 1.07A 5kr2D-5t5iG:
undetectable		 5kr2D-5t5iG:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L1F_C_6ZPC902_1
(GLUTAMATE RECEPTOR 2)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		4 / 7 SER A 263
TYR A 443
PHE A 267
ASN A 668
 SF4  A1984 ( 4.4A)
None
None
None
 1.18A 5l1fC-2ivfA:
undetectable		 5l1fC-2ivfA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF7_B_6V8B304_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus) 		5 / 12 THR E  84
THR E 288
ALA E 292
SER E 239
THR E 220
 SF4  E 302 (-4.6A)
None
None
SF4  E 303 (-3.4A)
SF4  E 303 (-4.4A)
 1.20A 5lf7V-5odrE:
undetectable
5lf7b-5odrE:
undetectable		 5lf7V-5odrE:
20.06
5lf7b-5odrE:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
(Methanothermobac
ter
wolfeii) 		5 / 11 THR F  57
GLU F 275
ALA F  53
GLY F  52
LEU F 301
 None
None
None
None
SF4  F 402 ( 4.9A)
 1.05A 5lf7H-5t5iF:
undetectable
5lf7I-5t5iF:
undetectable		 5lf7H-5t5iF:
20.74
5lf7I-5t5iF:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF7_N_6V8N305_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)		 5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G
(Methanothermococ
cus
thermolithotroph
icus) 		5 / 12 THR E  84
THR E 288
ALA E 292
SER E 239
THR E 220
 SF4  E 302 (-4.6A)
None
None
SF4  E 303 (-3.4A)
SF4  E 303 (-4.4A)
 1.20A 5lf7H-5odrE:
undetectable
5lf7N-5odrE:
undetectable		 5lf7H-5odrE:
20.06
5lf7N-5odrE:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF7_V_6V8V303_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDF
(Methanothermobac
ter
wolfeii) 		5 / 11 THR F  57
GLU F 275
ALA F  53
GLY F  52
LEU F 301
 None
None
None
None
SF4  F 402 ( 4.9A)
 1.02A 5lf7V-5t5iF:
undetectable
5lf7W-5t5iF:
undetectable		 5lf7V-5t5iF:
20.74
5lf7W-5t5iF:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LSU_B_SAMB1304_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 1kqj A/G-SPECIFIC ADENINE
GLYCOSYLASE
(Escherichia
coli) 		3 / 3 ASN A 213
TYR A 219
CYH A 208
 None
None
SF4  A 300 (-2.3A)
 0.90A 5lsuB-1kqjA:
undetectable		 5lsuB-1kqjA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M5B_A_SAMA1001_0
(NS5
METHYLTRANSFERASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		6 / 12 GLY A 163
GLY A 458
GLY A 460
GLY A 166
VAL A  58
ILE A 454
 FAD  A 503 (-3.4A)
None
None
None
None
SF4  A 501 ( 4.3A)
 1.50A 5m5bA-5vj7A:
2.9		 5m5bA-5vj7A:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE
(Desulfovibrio
africanus) 		4 / 5 LEU A 724
CYH A 689
CYH A 755
LEU A 762
 None
SF4  A2233 (-2.3A)
SF4  A2233 (-2.3A)
SF4  A2233 (-4.3A)
 1.02A 5mafA-2c3oA:
undetectable		 5mafA-2c3oA:
5.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MUG_A_VIVA301_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		3 / 3 SER B 233
SER B 211
PHE B 131
 SF4  B 401 ( 4.8A)
None
SF4  B 401 ( 4.6A)
 0.92A 5mugA-4pl2B:
3.7		 5mugA-4pl2B:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MVM_E_PFLE409_1
(PROTON-GATED ION
CHANNEL)		 3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA
(Archaeoglobus
fulgidus) 		5 / 10 ILE B 145
PRO B 143
ALA B 176
LEU B 175
ILE B 138
 None
SF4  B 585 (-3.8A)
SF4  B 585 ( 4.7A)
None
None
 1.02A 5mvmD-3mm5B:
undetectable
5mvmE-3mm5B:
undetectable		 5mvmD-3mm5B:
10.22
5mvmE-3mm5B:
10.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1oa1 HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
vulgaris) 		3 / 3 ALA A 520
GLN A   5
THR A   9
 None
SF4  A1554 (-4.7A)
SF4  A1554 (-3.9A)
 0.72A 5n0oA-1oa1A:
undetectable		 5n0oA-1oa1A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0O_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)		 1upx HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
desulfuricans) 		3 / 3 ALA A 513
GLN A   8
THR A  12
 None
SF4  A1544 (-4.6A)
SF4  A1544 (-3.9A)
 0.70A 5n0oA-1upxA:
undetectable		 5n0oA-1upxA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N4T_A_BEZA507_0
(BETA-LACTAMASE VIM-2)		 6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE
(Rhodothermus
marinus) 		3 / 3 THR B 947
HIS B 867
ASN B 890
 None
None
SF4  B1102 (-3.7A)
 1.00A 5n4tA-6f0kB:
undetectable		 5n4tA-6f0kB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N5D_B_SAMB303_1
(METHYLTRANSFERASE)		 2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B
(Thermosynechococ
cus
elongatus;
Thermosynechococ
cus
elongatus) 		4 / 7 PHE A  50
ARG B  43
ASP B  36
ASN B  40
 None
None
SF4  A 602 (-2.8A)
None
 1.02A 5n5dB-2xdqA:
undetectable		 5n5dB-2xdqA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND7_B_TA1B601_2
(TUBULIN BETA-2B
CHAIN)		 2g36 TRYPTOPHANYL-TRNA
SYNTHETASE
(Thermotoga
maritima) 		3 / 3 THR A 189
PRO A 222
ARG A 224
 None
None
SF4  A 400 (-4.4A)
 0.81A 5nd7B-2g36A:
undetectable		 5nd7B-2g36A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NJV_A_SAMA301_0
(NS5)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.17A 5njvA-1e08A:
undetectable		 5njvA-1e08A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NWU_A_ACAA18_1
(WTFP-TAG,GP41)		 1hux ACTIVATOR OF
(R)-2-HYDROXYGLUTARY
L-COA DEHYDRATASE
(Acidaminococcus
fermentans) 		5 / 12 ALA A 129
GLY A 130
GLU A 230
LEU A 228
GLU A 229
 SF4  A 290 ( 4.5A)
None
None
None
None
 1.06A 5nwuA-1huxA:
0.0		 5nwuA-1huxA:
12.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NY7_A_NCAA303_0
(AMIDASE)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		4 / 6 ARG A 208
GLY A  38
GLU A 595
SER A 594
 MGD  A1003 ( 3.6A)
SF4  A1001 ( 3.8A)
None
None
 1.06A 5ny7A-5chcA:
undetectable		 5ny7A-5chcA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NZX_A_9F2A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT
(Azospira
oryzae) 		4 / 8 PHE A 214
ARG A 208
THR A  37
GLY A  38
 None
MGD  A1003 ( 3.6A)
MGD  A1003 ( 4.8A)
SF4  A1001 ( 3.8A)
 1.00A 5nzxA-5chcA:
undetectable		 5nzxA-5chcA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O87_A_NCTA601_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN
(Azospirillum
brasilense) 		5 / 10 TRP G  68
VAL G 123
CYH G 104
VAL G 118
ILE G  65
 None
None
SF4  G 482 (-2.4A)
SF4  G 483 (-4.1A)
SF4  G 483 (-4.7A)
 1.35A 5o87A-2vdcG:
0.0
5o87B-2vdcG:
0.0		 5o87A-2vdcG:
10.04
5o87B-2vdcG:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OCS_A_ACTA402_0
(PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE)		 1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
gigas) 		4 / 5 CYH A  20
ILE A 109
HIS A  13
HIS A  45
 SF4  A 267 (-2.3A)
None
None
None
 1.35A 5ocsA-1yq9A:
undetectable		 5ocsA-1yq9A:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OCS_A_ACTA402_0
(PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE)		 1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
gigas) 		4 / 5 CYH A  20
ILE A 109
HIS A  13
TYR A  11
 SF4  A 267 (-2.3A)
None
None
None
 1.23A 5ocsA-1yq9A:
undetectable		 5ocsA-1yq9A:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ODI_A_ACTA701_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 2n0s FE-HYDROGENASE
(Chlamydomonas
reinhardtii) 		3 / 3 LYS A 188
LYS A 152
SER A 153
 SF4  A 501 (-3.7A)
None
None
 1.17A 5odiA-2n0sA:
3.9		 5odiA-2n0sA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_A_CUA602_0
(THIOCYANATE
DEHYDROGENASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 LYS A 210
HIS A 205
HIS A 216
 SF4  A 501 (-3.3A)
None
None
 0.94A 5oexA-4wcxA:
undetectable		 5oexA-4wcxA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_B_CUB602_0
(THIOCYANATE
DEHYDROGENASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 LYS A 210
HIS A 205
HIS A 216
 SF4  A 501 (-3.3A)
None
None
 0.98A 5oexB-4wcxA:
undetectable		 5oexB-4wcxA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_C_CUC603_0
(THIOCYANATE
DEHYDROGENASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 LYS A 210
HIS A 205
HIS A 216
 SF4  A 501 (-3.3A)
None
None
 0.97A 5oexC-4wcxA:
undetectable		 5oexC-4wcxA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OEX_D_CUD603_0
(THIOCYANATE
DEHYDROGENASE)		 4wcx BIOTIN AND THIAMIN
SYNTHESIS ASSOCIATED
(Thermoanaerobact
er
italicus) 		3 / 3 LYS A 210
HIS A 205
HIS A 216
 SF4  A 501 (-3.3A)
None
None
 0.96A 5oexD-4wcxA:
undetectable		 5oexD-4wcxA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QH8_A_ACTA302_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA
(Sulfurospirillum
multivorans) 		3 / 3 CYH A 386
MET A 292
ASN A 367
 SF4  A 502 (-2.3A)
SF4  A 501 ( 4.7A)
None
 1.01A 5qh8A-4ur2A:
undetectable		 5qh8A-4ur2A:
17.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5QH8_A_ACTA302_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 6dd6 PHOTOLYASE PHRB
(Agrobacterium
tumefaciens) 		3 / 3 CYH A 454
MET A 348
ASN A 349
 SF4  A 603 (-1.8A)
None
None
 1.00A 5qh8A-6dd6A:
undetectable		 5qh8A-6dd6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V1S_B_SAMB604_0
(RADICAL SAM)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 9 CYH A  24
GLU A  76
THR A 102
SER A 126
ASN A 165
 SF4  A1401 (-2.3A)
SAM  A1501 (-4.4A)
SAM  A1501 (-4.3A)
SAM  A1501 ( 2.4A)
None
 0.98A 5v1sB-1tv8A:
21.3		 5v1sB-1tv8A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V1S_B_SAMB604_0
(RADICAL SAM)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 9 CYH A  24
GLU A  76
THR A 102
SER A 126
VAL A 167
 SF4  A1401 (-2.3A)
SAM  A1501 (-4.4A)
SAM  A1501 (-4.3A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
 0.55A 5v1sB-1tv8A:
21.3		 5v1sB-1tv8A:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5V1S_B_SAMB604_0
(RADICAL SAM)		 5v1s RADICAL SAM
(Streptococcus
suis) 		9 / 9 CYH A 117
LEU A 126
GLU A 161
THR A 185
SER A 210
ASN A 247
VAL A 249
TYR A 278
SER A 279
 SF4  A 601 (-2.2A)
None
SAM  A 604 (-4.4A)
SAM  A 604 (-3.8A)
SAM  A 604 (-2.4A)
SAM  A 604 (-3.8A)
SAM  A 604 (-4.2A)
SAM  A 604 ( 4.9A)
SAM  A 604 (-4.9A)
 0.49A 5v1sB-5v1sA:
57.8		 5v1sB-5v1sA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V3C_A_AMHA402_1
(QUEUINE
TRNA-RIBOSYLTRANSFER
ASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 9 CYH A 101
GLN A 103
GLY A 123
GLY A  98
ALA A  95
 SF4  A 501 (-2.2A)
SF4  A 501 (-4.5A)
SF4  A 501 ( 4.3A)
SF4  A 501 ( 4.4A)
None
 1.26A 5v3cA-5vj7A:
undetectable		 5v3cA-5vj7A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		 4z3y IRON-SULFUR
CLUSTER-BINDING
OXIDOREDUCTASE,
PUTATIVE BENZOYL-COA
REDUCTASE ELECTRON
TRANSFER PROTEIN
(Geobacter
metallireducens) 		3 / 3 ARG E  50
ARG E  99
ARG E  93
 None
SF4  E1003 (-3.6A)
None
 0.97A 5vcgA-4z3yE:
undetectable		 5vcgA-4z3yE:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCV_A_1N1A404_2
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		 3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME
(Escherichia
coli) 		4 / 5 VAL A 109
HIS A 138
LEU A  30
CYH A  29
 None
None
None
SF4  A 500 (-2.2A)
 1.28A 5vcvA-3c8fA:
undetectable		 5vcvA-3c8fA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_H_RITH602_2
(CYTOCHROME P450 3A5)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus) 		4 / 5 PHE C  98
PHE C  33
LEU C  97
LEU C  19
 None
None
None
SF4  C1413 (-4.3A)
 1.01A 5veuH-2ynmC:
undetectable		 5veuH-2ynmC:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_H_RITH602_2
(CYTOCHROME P450 3A5)		 3aeu LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Rhodobacter
capsulatus) 		4 / 5 PHE A 107
PHE A  42
LEU A 106
LEU A  28
 None
None
None
SF4  A 425 (-4.1A)
 1.09A 5veuH-3aeuA:
undetectable		 5veuH-3aeuA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.15A 5vimA-1e08A:
undetectable		 5vimA-1e08A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		6 / 12 GLY L 163
GLY L 457
GLY L 459
GLY L 166
VAL L  58
ILE L 453
 FAD  L 503 (-3.2A)
None
None
None
None
SF4  L 501 ( 4.4A)
 1.46A 5vimA-5jfcL:
3.8		 5vimA-5jfcL:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_A_SAMA301_0
(METHYLTRANSFERASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		6 / 12 GLY A 163
GLY A 458
GLY A 460
GLY A 166
VAL A  58
ILE A 454
 FAD  A 503 (-3.4A)
None
None
None
None
SF4  A 501 ( 4.3A)
 1.45A 5vimA-5vj7A:
2.9		 5vimA-5vj7A:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_A_SAMA301_1
(METHYLTRANSFERASE)		 3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN
(Azotobacter
vinelandii;
Azotobacter
vinelandii) 		4 / 4 SER A  65
THR A 123
ASP A 131
ASP B 137
 None
SF4  A 501 (-4.0A)
None
None
 1.28A 5vimA-3pdiA:
undetectable		 5vimA-3pdiA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_B_SAMB301_0
(METHYLTRANSFERASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.11A 5vimB-1e08A:
undetectable		 5vimB-1e08A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VIM_B_SAMB301_1
(METHYLTRANSFERASE)		 3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE
NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN
(Azotobacter
vinelandii;
Azotobacter
vinelandii) 		4 / 4 SER A  65
THR A 123
ASP A 131
ASP B 137
 None
SF4  A 501 (-4.0A)
None
None
 1.24A 5vimB-3pdiA:
undetectable		 5vimB-3pdiA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VYH_A_FOLA409_0
(S PROTEIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		5 / 10 PRO L 234
HIS L 235
ALA L 222
THR L 434
ALA L 118
 None
SF4  S2001 (-4.4A)
None
None
None
 1.37A 5vyhA-4u9iL:
undetectable		 5vyhA-4u9iL:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		4 / 5 TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
SF4  A1510 (-4.5A)
None
 1.15A 5w97J-3zxsA:
undetectable		 5w97J-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		4 / 5 TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
SF4  A1510 (-4.5A)
None
 1.20A 5wauJ-3zxsA:
undetectable		 5wauJ-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WGG_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 12 TYR A  30
CYH A  31
PRO A  77
THR A 102
ASN A 104
 SAM  A1501 ( 4.5A)
SF4  A1401 (-2.3A)
None
SAM  A1501 (-4.3A)
SF4  A1401 ( 4.4A)
 0.39A 5wggA-1tv8A:
17.1		 5wggA-1tv8A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WGG_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		5 / 12 TYR A  21
CYH A  22
PRO A  68
ASN A 100
ARG A 134
 SAM  A 504 (-4.6A)
SF4  A 503 ( 2.2A)
None
SF4  A 503 ( 4.2A)
SAM  A 504 ( 3.5A)
 0.20A 5wggA-4k37A:
31.1		 5wggA-4k37A:
23.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WGG_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		 5wgg RADICAL SAM DOMAIN
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		12 / 12 TYR A 110
CYH A 111
PHE A 152
PRO A 156
THR A 186
ASN A 188
ARG A 222
ARG A 253
THR A 255
VAL A 283
VAL A 284
GLN A 364
 SAM  A 504 (-4.8A)
SF4  A 502 ( 2.4A)
SAM  A 504 (-4.1A)
None
SAM  A 504 (-4.2A)
SF4  A 502 ( 4.3A)
SF4  A 502 ( 3.6A)
SAM  A 504 (-3.2A)
SAM  A 504 (-3.4A)
SAM  A 504 (-4.0A)
SAM  A 504 (-3.6A)
SAM  A 504 ( 4.1A)
 0.00A 5wggA-5wggA:
63.7		 5wggA-5wggA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WHY_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		 1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A
(Staphylococcus
aureus) 		5 / 11 TYR A  30
CYH A  31
GLU A  76
THR A 102
SER A 126
 SAM  A1501 ( 4.5A)
SF4  A1401 (-2.3A)
SAM  A1501 (-4.4A)
SAM  A1501 (-4.3A)
SAM  A1501 ( 2.4A)
 0.53A 5whyA-1tv8A:
3.1		 5whyA-1tv8A:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WHY_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		 4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME
(Clostridium
perfringens) 		5 / 11 TYR A  21
CYH A  22
GLU A  67
SER A 122
ARG A 134
 SAM  A 504 (-4.6A)
SF4  A 503 ( 2.2A)
SAM  A 504 (-4.1A)
SAM  A 504 (-2.5A)
SAM  A 504 ( 3.5A)
 0.40A 5whyA-4k37A:
30.6		 5whyA-4k37A:
23.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WHY_A_SAMA504_0
(RADICAL SAM DOMAIN
PROTEIN)		 5wgg RADICAL SAM DOMAIN
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		11 / 11 TYR A 110
CYH A 111
PHE A 152
GLU A 155
THR A 186
SER A 210
ARG A 222
ARG A 253
THR A 255
VAL A 283
VAL A 284
 SAM  A 504 (-4.8A)
SF4  A 502 ( 2.4A)
SAM  A 504 (-4.1A)
SAM  A 504 (-3.7A)
SAM  A 504 (-4.2A)
SAM  A 504 (-2.5A)
SF4  A 502 ( 3.6A)
SAM  A 504 (-3.2A)
SAM  A 504 (-3.4A)
SAM  A 504 (-4.0A)
SAM  A 504 (-3.6A)
 0.55A 5whyA-5wggA:
54.8		 5whyA-5wggA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5WHY_B_SAMB504_0
(RADICAL SAM DOMAIN
PROTEIN)		 5wgg RADICAL SAM DOMAIN
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		10 / 10 TYR A 110
PHE A 152
GLU A 155
THR A 186
SER A 210
ARG A 222
ARG A 253
THR A 255
VAL A 283
VAL A 284
 SAM  A 504 (-4.8A)
SAM  A 504 (-4.1A)
SAM  A 504 (-3.7A)
SAM  A 504 (-4.2A)
SAM  A 504 (-2.5A)
SF4  A 502 ( 3.6A)
SAM  A 504 (-3.2A)
SAM  A 504 (-3.4A)
SAM  A 504 (-4.0A)
SAM  A 504 (-3.6A)
 0.42A 5whyB-5wggA:
54.9		 5whyB-5wggA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 PRO A 544
GLY A 462
ILE A 228
GLY A 536
GLY A 247
 None
None
None
SF4  A 701 ( 4.3A)
SF4  A 701 (-3.6A)
 0.89A 5wyqA-4z3yA:
undetectable		 5wyqA-4z3yA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WYQ_A_SAMA401_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 PRO A 544
GLY A 462
LEU A 537
GLY A 536
GLY A 247
 None
None
None
SF4  A 701 ( 4.3A)
SF4  A 701 (-3.6A)
 0.98A 5wyqA-4z3yA:
undetectable		 5wyqA-4z3yA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_A_SAMA601_0
(NS5
METHYLTRANSFERASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 12 GLY L 163
GLY L 457
GLY L 166
VAL L  58
ILE L 453
 FAD  L 503 (-3.2A)
None
None
None
SF4  L 501 ( 4.4A)
 1.03A 5wz1A-5jfcL:
3.8		 5wz1A-5jfcL:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_A_SAMA601_0
(NS5
METHYLTRANSFERASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 163
GLY A 458
GLY A 166
VAL A  58
ILE A 454
 FAD  A 503 (-3.4A)
None
None
None
SF4  A 501 ( 4.3A)
 1.01A 5wz1A-5vj7A:
undetectable		 5wz1A-5vj7A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_A_SAMA601_0
(NS5
METHYLTRANSFERASE)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		5 / 12 GLY J  37
GLY J  33
VAL L 150
ASP J  39
ILE J  40
 SF4  J 201 ( 4.6A)
None
None
None
None
 0.98A 5wz1A-6cfwJ:
undetectable		 5wz1A-6cfwJ:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_C_SAMC601_0
(NS5
METHYLTRANSFERASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 12 GLY L 163
GLY L 457
GLY L 166
VAL L  58
ILE L 453
 FAD  L 503 (-3.2A)
None
None
None
SF4  L 501 ( 4.4A)
 1.04A 5wz1C-5jfcL:
3.9		 5wz1C-5jfcL:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_C_SAMC601_0
(NS5
METHYLTRANSFERASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 163
GLY A 458
GLY A 166
VAL A  58
ILE A 454
 FAD  A 503 (-3.4A)
None
None
None
SF4  A 501 ( 4.3A)
 1.02A 5wz1C-5vj7A:
2.8		 5wz1C-5vj7A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_C_SAMC601_0
(NS5
METHYLTRANSFERASE)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		5 / 12 GLY J  37
GLY J  33
VAL L 150
ASP J  39
ILE J  40
 SF4  J 201 ( 4.6A)
None
None
None
None
 1.01A 5wz1C-6cfwJ:
undetectable		 5wz1C-6cfwJ:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_D_SAMD601_0
(NS5
METHYLTRANSFERASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 12 GLY L 163
GLY L 457
GLY L 166
VAL L  58
ILE L 453
 FAD  L 503 (-3.2A)
None
None
None
SF4  L 501 ( 4.4A)
 1.05A 5wz1D-5jfcL:
3.8		 5wz1D-5jfcL:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_D_SAMD601_0
(NS5
METHYLTRANSFERASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 163
GLY A 458
GLY A 166
VAL A  58
ILE A 454
 FAD  A 503 (-3.4A)
None
None
None
SF4  A 501 ( 4.3A)
 1.03A 5wz1D-5vj7A:
3.1		 5wz1D-5vj7A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_D_SAMD601_0
(NS5
METHYLTRANSFERASE)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		5 / 12 GLY J  37
GLY J  33
VAL L 150
ASP J  39
ILE J  40
 SF4  J 201 ( 4.6A)
None
None
None
None
 1.01A 5wz1D-6cfwJ:
undetectable		 5wz1D-6cfwJ:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_E_SAME601_0
(NS5
METHYLTRANSFERASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 12 GLY L 163
GLY L 457
GLY L 166
VAL L  58
ILE L 453
 FAD  L 503 (-3.2A)
None
None
None
SF4  L 501 ( 4.4A)
 1.04A 5wz1E-5jfcL:
3.7		 5wz1E-5jfcL:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_E_SAME601_0
(NS5
METHYLTRANSFERASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 163
GLY A 458
GLY A 166
VAL A  58
ILE A 454
 FAD  A 503 (-3.4A)
None
None
None
SF4  A 501 ( 4.3A)
 1.02A 5wz1E-5vj7A:
3.0		 5wz1E-5vj7A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_E_SAME601_0
(NS5
METHYLTRANSFERASE)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		5 / 12 GLY J  37
GLY J  33
VAL L 150
ASP J  39
ILE J  40
 SF4  J 201 ( 4.6A)
None
None
None
None
 1.01A 5wz1E-6cfwJ:
undetectable		 5wz1E-6cfwJ:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_F_SAMF601_0
(NS5
METHYLTRANSFERASE)		 5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
(Pyrococcus
furiosus) 		5 / 12 GLY L 163
GLY L 457
GLY L 166
VAL L  58
ILE L 453
 FAD  L 503 (-3.2A)
None
None
None
SF4  L 501 ( 4.4A)
 1.03A 5wz1F-5jfcL:
3.9		 5wz1F-5jfcL:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_F_SAMF601_0
(NS5
METHYLTRANSFERASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 163
GLY A 458
GLY A 166
VAL A  58
ILE A 454
 FAD  A 503 (-3.4A)
None
None
None
SF4  A 501 ( 4.3A)
 1.01A 5wz1F-5vj7A:
3.1		 5wz1F-5vj7A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_F_SAMF601_0
(NS5
METHYLTRANSFERASE)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		5 / 12 GLY J  37
GLY J  33
VAL L 150
ASP J  39
ILE J  40
 SF4  J 201 ( 4.6A)
None
None
None
None
 1.01A 5wz1F-6cfwJ:
undetectable		 5wz1F-6cfwJ:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_G_SAMG601_0
(NS5
METHYLTRANSFERASE)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		5 / 12 GLY J  37
GLY J  33
VAL L 150
ASP J  39
ILE J  40
 SF4  J 201 ( 4.6A)
None
None
None
None
 0.99A 5wz1G-6cfwJ:
undetectable		 5wz1G-6cfwJ:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_H_SAMH601_0
(NS5
METHYLTRANSFERASE)		 5vj7 OXIDOREDUCTASE
(Pyrococcus
furiosus) 		5 / 12 GLY A 163
GLY A 458
GLY A 166
VAL A  58
ILE A 454
 FAD  A 503 (-3.4A)
None
None
None
SF4  A 501 ( 4.3A)
 1.02A 5wz1H-5vj7A:
undetectable		 5wz1H-5vj7A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ1_H_SAMH601_0
(NS5
METHYLTRANSFERASE)		 6cfw PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
ALPHA
(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		5 / 12 GLY J  37
GLY J  33
VAL L 150
ASP J  39
ILE J  40
 SF4  J 201 ( 4.6A)
None
None
None
None
 1.01A 5wz1H-6cfwJ:
undetectable		 5wz1H-6cfwJ:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ2_A_SAMA601_0
(NS5 MTASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.10A 5wz2A-1e08A:
undetectable		 5wz2A-1e08A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WZ2_B_SAMB601_0
(NS5 MTASE)		 1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
(Desulfovibrio
desulfuricans) 		6 / 12 GLY A 297
GLY A  70
GLY A 386
GLY A 381
VAL A  28
ILE A 235
 PDT  A   4 (-3.3A)
SF4  A   2 (-3.8A)
SF4  A   3 ( 4.3A)
SF4  A   3 ( 3.9A)
SF4  A   2 (-4.7A)
None
 1.09A 5wz2B-1e08A:
undetectable		 5wz2B-1e08A:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 6cza -
(-) 		3 / 3 ARG B 188
PHE B 223
LEU B  56
 SF4  B 301 (-4.6A)
None
SF4  B 302 ( 4.2A)
 0.73A 5x1bC-6czaB:
undetectable		 5x1bC-6czaB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		 1oa1 HYDROXYLAMINE
REDUCTASE
(Desulfovibrio
vulgaris) 		5 / 11 GLY A 515
GLY A 408
GLN A 410
GLU A   8
THR A   9
 None
None
None
None
SF4  A1554 (-3.9A)
 1.09A 5x1bG-1oa1A:
0.0
5x1bN-1oa1A:
0.0
5x1bO-1oa1A:
0.0		 5x1bG-1oa1A:
12.11
5x1bN-1oa1A:
25.04
5x1bO-1oa1A:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		4 / 5 TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
SF4  A1510 (-4.5A)
None
 1.25A 5x1fW-3zxsA:
undetectable		 5x1fW-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		 2jh3 RIBOSOMAL PROTEIN
S2-RELATED PROTEIN
(Deinococcus
radiodurans) 		3 / 3 LEU A 455
VAL A 412
ASP A 413
 SF4  A 650 (-4.1A)
None
None
 0.49A 5x23A-2jh3A:
undetectable		 5x23A-2jh3A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7F_A_SAMA301_0
(PUTATIVE
O-METHYLTRANSFERASE
RV1220C)		 5h8y SULFITE REDUCTASE
[FERREDOXIN],
CHLOROPLASTIC
(Zea
mays) 		5 / 12 GLY A 543
GLY A 318
GLY A 320
ALA A 333
ASP A 290
 SF4  A 701 (-4.4A)
SRM  A 702 (-3.7A)
SRM  A 702 (-3.5A)
None
None
 1.12A 5x7fA-5h8yA:
undetectable		 5x7fA-5h8yA:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDH_A_DAHA60_1
(PUTATIVE CYTOCHROME
C)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 6 HIS B  55
ASN B  40
VAL B  52
GLN B  18
 None
None
SF4  B1011 ( 4.9A)
None
 1.30A 5xdhA-1h0hB:
undetectable
5xdhC-1h0hB:
undetectable		 5xdhA-1h0hB:
24.07
5xdhC-1h0hB:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDH_A_DAHA60_1
(PUTATIVE CYTOCHROME
C)		 3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
(Moorella
thermoacetica) 		4 / 6 HIS M 516
ASN M 548
LEU M 571
GLN M 549
 SF4  M 900 ( 4.8A)
None
None
None
 1.49A 5xdhA-3i04M:
undetectable
5xdhC-3i04M:
undetectable		 5xdhA-3i04M:
7.27
5xdhC-3i04M:
7.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDH_C_DAHC60_1
(PUTATIVE CYTOCHROME
C)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT BETA
(Desulfovibrio
gigas) 		4 / 6 GLN B  18
HIS B  55
ASN B  40
VAL B  52
 None
None
None
SF4  B1011 ( 4.9A)
 1.32A 5xdhA-1h0hB:
undetectable
5xdhC-1h0hB:
undetectable		 5xdhA-1h0hB:
24.07
5xdhC-1h0hB:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y9Y_A_ACTA412_0
(UNCHARACTERIZED
PROTEIN KDOO)		 5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
(Cupriavidus
necator;
Cupriavidus
necator) 		3 / 3 ARG C 203
PHE A 293
ARG C  79
 SF4  A 502 (-3.5A)
None
None
 1.01A 5y9yA-5aa5C:
undetectable		 5y9yA-5aa5C:
19.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YBB_A_SAMA601_1
(TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT
(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		4 / 5 PHE A  94
ASP B 347
GLU A 107
ASN B 224
 SF4  A1984 (-4.6A)
GOL  B1353 (-4.2A)
None
SF4  B1359 (-4.1A)
 1.44A 5ybbA-2ivfA:
1.3		 5ybbA-2ivfA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YCP_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 1o94 TRIMETHYLAMINE
DEHYDROGENASE
(Methylophilus
methylotrophus) 		5 / 12 CYH A 348
SER A 271
ILE A 352
LEU A 428
LEU A 437
 SF4  A1732 (-2.3A)
None
FMN  A1730 (-4.3A)
None
None
 1.45A 5ycpA-1o94A:
0.0		 5ycpA-1o94A:
9.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YK2_A_ERYA501_0
(PROBABLE CONSERVED
ATP-BINDING PROTEIN
ABC TRANSPORTER)		 6g2j NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 1,
MITOCHONDRIAL
(Mus
musculus) 		5 / 11 GLU F 189
ASP F  98
ALA F 191
PRO F 203
ILE F 185
 FMN  F 501 ( 4.8A)
FMN  F 501 (-3.9A)
None
SF4  F 502 (-4.0A)
SF4  F 502 ( 4.2A)
 1.17A 5yk2A-6g2jF:
undetectable		 5yk2A-6g2jF:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YN6_A_SAMA401_0
(NSP16 PROTEIN)		 2n0s FE-HYDROGENASE
(Chlamydomonas
reinhardtii) 		5 / 12 GLY A 351
PRO A 131
GLY A 132
ASN A 354
ASP A 285
 None
SF4  A 501 (-4.3A)
None
None
None
 1.27A 5yn6A-2n0sA:
undetectable		 5yn6A-2n0sA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YSI_A_NCAA1001_0
(UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA)		 5aa5 NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK
NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
(Cupriavidus
necator;
Cupriavidus
necator) 		4 / 6 ARG C 203
GLY A 277
THR C 209
VAL A 281
 SF4  A 502 (-3.5A)
None
None
None
 1.01A 5ysiA-5aa5C:
undetectable		 5ysiA-5aa5C:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 3zxs CRYPTOCHROME B
(Rhodobacter
sphaeroides) 		4 / 5 TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
SF4  A1510 (-4.5A)
None
 1.15A 5z86J-3zxsA:
undetectable		 5z86J-3zxsA:
8.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_A_CUA606_0
(TYROSINASE)		 2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE
(Sus
scrofa) 		4 / 4 HIS A 555
CYH A 553
HIS A 503
HIS A 496
 None
SF4  A 610 (-2.3A)
None
None
 1.01A 5zrdA-2gmhA:
undetectable		 5zrdA-2gmhA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_B_CUB607_0
(TYROSINASE)		 2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE
(Sus
scrofa) 		4 / 5 HIS A 555
CYH A 553
HIS A 503
HIS A 496
 None
SF4  A 610 (-2.3A)
None
None
 0.97A 5zrdB-2gmhA:
undetectable		 5zrdB-2gmhA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_C_CUC605_0
(TYROSINASE)		 2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE
(Sus
scrofa) 		4 / 5 HIS A 555
CYH A 553
HIS A 503
HIS A 496
 None
SF4  A 610 (-2.3A)
None
None
 1.01A 5zrdC-2gmhA:
undetectable		 5zrdC-2gmhA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_D_CUD606_0
(TYROSINASE)		 2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE
(Sus
scrofa) 		4 / 5 HIS A 555
CYH A 553
HIS A 503
HIS A 496
 None
SF4  A 610 (-2.3A)
None
None
 1.07A 5zrdD-2gmhA:
undetectable		 5zrdD-2gmhA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 244
PRO A 541
GLY A 247
ASP A 238
PRO A 235
 None
None
SF4  A 701 (-3.6A)
None
None
 1.18A 5zvgA-4z3yA:
undetectable		 5zvgA-4z3yA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZVG_B_SAMB401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 4z3y BENZOYL-COA
REDUCTASE, PUTATIVE
(Geobacter
metallireducens) 		5 / 12 ALA A 244
PRO A 541
GLY A 247
ASP A 238
PRO A 235
 None
None
SF4  A 701 (-3.6A)
None
None
 1.17A 5zvgB-4z3yA:
undetectable		 5zvgB-4z3yA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZW4_A_SAMA302_1
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		 2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		4 / 6 SER A 235
ARG B 183
ARG A 231
ASP A 219
 None
SH0  A 503 (-3.8A)
SRM  B 503 (-4.1A)
SF4  A 501 ( 4.8A)
 1.11A 5zw4A-2v4jA:
undetectable		 5zw4A-2v4jA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC605_0
(ALPHA-AMYLASE)		 6dd6 PHOTOLYASE PHRB
(Agrobacterium
tumefaciens) 		4 / 8 TYR A 443
GLY A 428
ILE A 431
ASP A 439
 None
SF4  A 603 ( 4.4A)
SF4  A 603 (-3.5A)
None
 1.00A 6ag0C-6dd6A:
undetectable		 6ag0C-6dd6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AGG_Z_AG2Z503_0
(TRNA(ILE2)
2-AGMATINYLCYTIDINE
SYNTHETASE TIAS)		 2vpw NRFC PROTEIN
(Thermus
thermophilus) 		4 / 5 GLU B  26
VAL B 132
CYH B 131
ARG B 122
 None
None
SF4  B1195 (-2.2A)
None
 0.89A 6aggZ-2vpwB:
0.0		 6aggZ-2vpwB:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AGG_Z_AG2Z503_0
(TRNA(ILE2)
2-AGMATINYLCYTIDINE
SYNTHETASE TIAS)		 5oay TRANSCRIPTIONAL
REGULATOR WHIB1
(Mycobacterium
tuberculosis) 		4 / 5 GLU A  67
ASN A  38
VAL A  36
CYH A  37
 None
None
None
SF4  A 101 (-2.2A)
 1.46A 6aggZ-5oayA:
undetectable		 6aggZ-5oayA:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWO_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Thermosynechococ
cus
elongatus) 		5 / 9 ALA A 134
ILE A 104
GLY A 138
SER A  25
GLY A 146
 None
None
SF4  A 602 (-3.6A)
None
None
 1.32A 6awoA-2xdqA:
undetectable		 6awoA-2xdqA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWO_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4rqo L-SERINE DEHYDRATASE
(Legionella
pneumophila) 		5 / 9 ALA A 288
PHE A 152
GLY A 149
SER A  16
GLY A 292
 None
None
None
None
SF4  A 500 ( 4.2A)
 1.34A 6awoA-4rqoA:
undetectable		 6awoA-4rqoA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWQ_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Thermosynechococ
cus
elongatus) 		5 / 9 ALA A 134
ILE A 104
GLY A 138
SER A  25
GLY A 146
 None
None
SF4  A 602 (-3.6A)
None
None
 1.33A 6awqA-2xdqA:
undetectable		 6awqA-2xdqA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AWQ_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4rqo L-SERINE DEHYDRATASE
(Legionella
pneumophila) 		5 / 9 ALA A 288
PHE A 152
GLY A 149
SER A  16
GLY A 292
 None
None
None
None
SF4  A 500 ( 4.2A)
 1.34A 6awqA-4rqoA:
undetectable		 6awqA-4rqoA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AYC_A_1YNA502_2
(PROTEIN CYP51)		 3vys HYDROGENASE
EXPRESSION/FORMATION
PROTEIN HYPD
(Thermococcus
kodakarensis) 		4 / 7 VAL B  61
PRO B 339
LEU B 340
PHE B 341
 None
None
SF4  B 501 ( 4.3A)
None
 1.22A 6aycA-3vysB:
undetectable		 6aycA-3vysB:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 5xmj SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT
(Desulfovibrio
gigas) 		5 / 12 MET B 177
GLY B 172
ILE B 222
LEU B 224
PRO B 219
 None
None
SF4  B 302 (-4.6A)
SF4  B 302 (-4.7A)
SF4  B 302 (-4.5A)
 1.16A 6b3aA-5xmjB:
undetectable		 6b3aA-5xmjB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 5xmj SUCCINATE
DEHYDROGENASE
IRON-SULFUR SUBUNIT
(Desulfovibrio
gigas) 		5 / 12 MET B 177
GLY B 172
ILE B 222
LEU B 224
PRO B 219
 None
None
SF4  B 302 (-4.6A)
SF4  B 302 (-4.7A)
SF4  B 302 (-4.5A)
 1.14A 6b3bA-5xmjB:
undetectable		 6b3bA-5xmjB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN
(Wolinella
succinogenes) 		3 / 3 ILE B 152
ASN B 177
CYH B 214
 SF4  B1242 (-4.7A)
None
F3S  B1241 (-2.1A)
 0.84A 6bp4A-1qlbB:
undetectable		 6bp4A-1qlbB:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 5wgg RADICAL SAM DOMAIN
PROTEIN
(Ruminiclostridiu
m
thermocellum) 		3 / 3 ILE A 337
ASN A 393
CYH A 400
 None
None
SF4  A 503 (-2.3A)
 0.73A 6bp4A-5wggA:
undetectable		 6bp4A-5wggA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BP4_B_SAMB505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 3git CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA
(Moorella
thermoacetica) 		5 / 12 GLY A 638
ILE A 635
CYH A 506
LEU A 527
GLY A 646
 None
None
SF4  A 738 (-2.3A)
SF4  A 738 (-4.0A)
None
 1.46A 6bp4B-3gitA:
undetectable		 6bp4B-3gitA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BRD_A_RFPA502_1
(RIFAMPIN
MONOOXYGENASE)		 2vdc GLUTAMATE SYNTHASE
[NADPH] SMALL CHAIN
(Azospirillum
brasilense) 		5 / 12 VAL G  83
LEU G 449
ARG G 203
VAL G 450
GLY G 121
 None
FAD  G 484 (-3.9A)
None
FAD  G 484 (-3.7A)
SF4  G 482 ( 4.0A)
 1.25A 6brdA-2vdcG:
6.4		 6brdA-2vdcG:
11.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)		 1ogy DIHEME CYTOCHROME C
NAPB MOLECULE:
NITRATE REDUCTASE
PERIPLASMIC NITRATE
REDUCTASE
(Rhodobacter
sphaeroides) 		5 / 12 VAL A 627
ARG B  83
PHE A 379
THR A  24
GLY A  25
 None
None
None
SF4  A1801 ( 4.2A)
SF4  A1801 ( 4.3A)
 1.10A 6brdC-1ogyA:
undetectable		 6brdC-1ogyA:
8.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXL_A_SAMA401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME
(Escherichia
coli) 		5 / 12 LEU A 204
GLY A 205
HIS A 207
CYH A  36
ASP A  40
 None
None
None
SF4  A 500 (-2.2A)
None
 1.23A 6bxlA-3c8fA:
undetectable		 6bxlA-3c8fA:
20.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6BXL_A_SAMA401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 3lzd DPH2
(Pyrococcus
horikoshii) 		10 / 12 TYR A  56
LEU A 161
GLY A 162
HIS A 184
SER A 236
LYS A 238
GLN A 241
ASP A 268
CYH A 287
VAL A 290
 None
SO4  A 344 (-3.8A)
SO4  A 344 (-3.5A)
SO4  A 344 (-4.2A)
None
None
SF4  A 343 ( 4.4A)
None
SF4  A 343 (-2.3A)
None
 0.45A 6bxlA-3lzdA:
52.9		 6bxlA-3lzdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6BXL_A_SAMA401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 3lzd DPH2
(Pyrococcus
horikoshii) 		10 / 12 TYR A  56
LEU A 161
GLY A 162
HIS A 184
SER A 236
LYS A 238
GLN A 241
CYH A 287
VAL A 290
ASP A 293
 None
SO4  A 344 (-3.8A)
SO4  A 344 (-3.5A)
SO4  A 344 (-4.2A)
None
None
SF4  A 343 ( 4.4A)
SF4  A 343 (-2.3A)
None
None
 0.46A 6bxlA-3lzdA:
52.9		 6bxlA-3lzdA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXL_A_SAMA401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2
(Candidatus
Methanoperedens
nitroreducens) 		8 / 12 LEU A 157
GLY A 158
HIS A 180
SER A 232
LYS A 234
GLN A 237
CYH A 283
ASP A 289
 SAM  A 901 (-3.8A)
SF4  A 900 ( 3.6A)
SAM  A 901 (-4.2A)
SAM  A 901 ( 3.9A)
SAM  A 901 (-4.9A)
SAM  A 901 (-3.0A)
SF4  A 900 ( 2.2A)
SAM  A 901 (-3.9A)
 0.53A 6bxlA-6bxnA:
19.3		 6bxlA-6bxnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 3c8f PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME
(Escherichia
coli) 		5 / 12 LEU A 204
GLY A 205
HIS A 207
CYH A  36
ASP A  40
 None
None
None
SF4  A 500 (-2.2A)
None
 1.36A 6bxlB-3c8fA:
undetectable		 6bxlB-3c8fA:
20.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 3lzd DPH2
(Pyrococcus
horikoshii) 		11 / 12 LEU A 161
GLY A 162
HIS A 184
SER A 236
LYS A 238
GLN A 241
VAL A 269
CYH A 287
ARG A 289
VAL A 290
ASP A 293
 SO4  A 344 (-3.8A)
SO4  A 344 (-3.5A)
SO4  A 344 (-4.2A)
None
None
SF4  A 343 ( 4.4A)
None
SF4  A 343 (-2.3A)
SO4  A 344 (-4.0A)
None
None
 0.59A 6bxlB-3lzdA:
50.5		 6bxlB-3lzdA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 3lzd DPH2
(Pyrococcus
horikoshii) 		9 / 12 TYR A  56
LEU A 161
GLY A 162
HIS A 184
LYS A 238
GLN A 241
CYH A 287
ARG A 289
ASP A 293
 None
SO4  A 344 (-3.8A)
SO4  A 344 (-3.5A)
SO4  A 344 (-4.2A)
None
SF4  A 343 ( 4.4A)
SF4  A 343 (-2.3A)
SO4  A 344 (-4.0A)
None
 0.82A 6bxlB-3lzdA:
50.5		 6bxlB-3lzdA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2
(Candidatus
Methanoperedens
nitroreducens) 		10 / 12 LEU A 157
GLY A 158
HIS A 180
SER A 232
LYS A 234
GLN A 237
VAL A 265
CYH A 283
ARG A 285
ASP A 289
 SAM  A 901 (-3.8A)
SF4  A 900 ( 3.6A)
SAM  A 901 (-4.2A)
SAM  A 901 ( 3.9A)
SAM  A 901 (-4.9A)
SAM  A 901 (-3.0A)
SAM  A 901 (-4.0A)
SF4  A 900 ( 2.2A)
SAM  A 901 (-4.1A)
SAM  A 901 (-3.9A)
 0.54A 6bxlB-6bxnA:
13.6		 6bxlB-6bxnA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6BXM_A_SAMA402_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 3lzd DPH2
(Pyrococcus
horikoshii) 		8 / 12 LEU A 161
GLY A 162
SER A 236
LYS A 238
GLN A 241
VAL A 269
CYH A 287
ARG A 289
 SO4  A 344 (-3.8A)
SO4  A 344 (-3.5A)
None
None
SF4  A 343 ( 4.4A)
None
SF4  A 343 (-2.3A)
SO4  A 344 (-4.0A)
 0.56A 6bxmA-3lzdA:
20.1		 6bxmA-3lzdA:
38.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXM_A_SAMA402_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2
(Candidatus
Methanoperedens
nitroreducens) 		12 / 12 PHE A  58
LEU A 157
GLY A 158
SER A 232
LYS A 234
GLN A 237
LEU A 264
VAL A 265
CYH A 283
ARG A 285
ILE A 286
ASP A 289
 SAM  A 901 ( 3.5A)
SAM  A 901 (-3.8A)
SF4  A 900 ( 3.6A)
SAM  A 901 ( 3.9A)
SAM  A 901 (-4.9A)
SAM  A 901 (-3.0A)
SAM  A 901 (-4.5A)
SAM  A 901 (-4.0A)
SF4  A 900 ( 2.2A)
SAM  A 901 (-4.1A)
SAM  A 901 (-4.7A)
SAM  A 901 (-3.9A)
 0.22A 6bxmA-6bxnA:
41.7		 6bxmA-6bxnA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 3lzd DPH2
(Pyrococcus
horikoshii) 		8 / 12 LEU A 161
HIS A 184
SER A 236
LYS A 238
GLN A 241
VAL A 269
CYH A 287
ARG A 289
 SO4  A 344 (-3.8A)
SO4  A 344 (-4.2A)
None
None
SF4  A 343 ( 4.4A)
None
SF4  A 343 (-2.3A)
SO4  A 344 (-4.0A)
 0.60A 6bxnA-3lzdA:
34.5		 6bxnA-3lzdA:
38.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXN_A_SAMA901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2
(Candidatus
Methanoperedens
nitroreducens) 		12 / 12 PHE A  58
LEU A 157
HIS A 180
SER A 232
LYS A 234
GLN A 237
VAL A 265
CYH A 283
ARG A 285
ILE A 286
ASP A 289
ASP A 290
 SAM  A 901 ( 3.5A)
SAM  A 901 (-3.8A)
SAM  A 901 (-4.2A)
SAM  A 901 ( 3.9A)
SAM  A 901 (-4.9A)
SAM  A 901 (-3.0A)
SAM  A 901 (-4.0A)
SF4  A 900 ( 2.2A)
SAM  A 901 (-4.1A)
SAM  A 901 (-4.7A)
SAM  A 901 (-3.9A)
SAM  A 901 (-3.2A)
 0.00A 6bxnA-6bxnA:
47.0		 6bxnA-6bxnA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6BXN_B_SAMB901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 3lzd DPH2
(Pyrococcus
horikoshii) 		9 / 12 LEU A 161
GLY A 162
HIS A 184
SER A 236
LYS A 238
GLN A 241
VAL A 269
CYH A 287
ARG A 289
 SO4  A 344 (-3.8A)
SO4  A 344 (-3.5A)
SO4  A 344 (-4.2A)
None
None
SF4  A 343 ( 4.4A)
None
SF4  A 343 (-2.3A)
SO4  A 344 (-4.0A)
 0.61A 6bxnB-3lzdA:
20.3		 6bxnB-3lzdA:
38.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BXN_B_SAMB901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2
(Candidatus
Methanoperedens
nitroreducens) 		12 / 12 PHE A  58
LEU A 157
GLY A 158
HIS A 180
SER A 232
LYS A 234
GLN A 237
VAL A 265
CYH A 283
ARG A 285
ILE A 286
ASP A 290
 SAM  A 901 ( 3.5A)
SAM  A 901 (-3.8A)
SF4  A 900 ( 3.6A)
SAM  A 901 (-4.2A)
SAM  A 901 ( 3.9A)
SAM  A 901 (-4.9A)
SAM  A 901 (-3.0A)
SAM  A 901 (-4.0A)
SF4  A 900 ( 2.2A)
SAM  A 901 (-4.1A)
SAM  A 901 (-4.7A)
SAM  A 901 (-3.2A)
 0.18A 6bxnB-6bxnA:
43.0		 6bxnB-6bxnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DGX_A_017A101_1
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus;
Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.85A 6dgxB-2ynmA:
undetectable		 6dgxB-2ynmA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH6_A_017A104_0
(PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus;
Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 1.00A 6dh6A-2ynmA:
undetectable		 6dh6A-2ynmA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus;
Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.94A 6difA-2ynmA:
undetectable		 6difA-2ynmA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N
(Prochlorococcus
marinus;
Prochlorococcus
marinus) 		5 / 12 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.98A 6difA-2ynmA:
undetectable		 6difA-2ynmA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DYO_A_LDPA901_0
(EBONY)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
vulgaris;
Desulfovibrio
vulgaris) 		4 / 5 GLU S  75
LEU S  25
HIS L 122
THR S  47
 SF4  S2001 ( 4.7A)
None
None
None
 1.02A 6dyoA-4u9iS:
undetectable		 6dyoA-4u9iS:
12.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F8C_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA
(Desulfovibrio
gigas) 		4 / 6 ALA A 410
GLY A  57
THR A  60
ILE A 576
 None
SF4  A1010 (-3.5A)
None
None
 0.91A 6f8cA-1h0hA:
0.0		 6f8cA-1h0hA:
6.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FDY_U_DB8U302_1
(-)		 4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN
(Escherichia
coli) 		5 / 9 LEU B 265
VAL B 275
SER B 213
LEU B 234
ILE B 277
 None
None
SF4  B 401 (-3.1A)
None
None
 1.36A 6fdyU-4pl2B:
undetectable		 6fdyU-4pl2B:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGD_A_ACTA806_0
(GEPHYRIN)		 4uob ENDONUCLEASE III-3
(Deinococcus
radiodurans) 		4 / 4 MET A 252
GLY A 297
HIS A 296
GLY A 293
 None
None
SF4  A1329 ( 4.7A)
None
 1.44A 6fgdA-4uobA:
undetectable		 6fgdA-4uobA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_A_ACRA602_1
(-)		 2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE
(Sus
scrofa) 		5 / 12 GLY A 577
GLY A 578
VAL A 554
VAL A 489
GLY A 493
 EDO  A 619 (-3.2A)
None
SF4  A 610 (-4.1A)
EDO  A 621 (-4.5A)
EDO  A 624 (-3.7A)
 1.02A 6gneA-2gmhA:
4.0		 6gneA-2gmhA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_A_ACRA602_1
(-)		 5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG
(Methanothermobac
ter
sp.
CaT2;
Methanothermobac
ter
wolfeii) 		5 / 12 VAL G  73
GLN D  34
PRO B 158
CYH G  15
GLY G  14
 None
None
SF4  B 501 ( 4.3A)
SF4  G 101 (-2.2A)
SF4  G 101 ( 3.9A)
 1.11A 6gneA-5t5iG:
undetectable		 6gneA-5t5iG:
10.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNE_B_ACRB602_1
(-)		 2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE
(Sus
scrofa) 		5 / 12 GLY A 577
GLY A 578
VAL A 554
VAL A 489
GLY A 493
 EDO  A 619 (-3.2A)
None
SF4  A 610 (-4.1A)
EDO  A 621 (-4.5A)
EDO  A 624 (-3.7A)
 1.02A 6gneB-2gmhA:
2.0		 6gneB-2gmhA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GTQ_A_ACTA204_0
(N-ACETYLTRANSFERASE)		 2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens) 		4 / 5 THR A 435
CYH A 437
THR A 438
GLY A 534
 None
SF4  A1000 (-2.3A)
None
None
 0.90A 6gtqA-2b3xA:
undetectable		 6gtqA-2b3xA:
11.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_E_PCFE202_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL
CYTOCHROME C OXIDASE
SUBUNIT 1)		 1su7 CARBON MONOXIDE
DEHYDROGENASE 2
(Carboxydothermus
hydrogenoformans) 		4 / 8 ILE A 193
ALA A  79
VAL A  78
ARG A  80
 None
None
None
SF4  A 637 (-3.8A)
 0.83A 6hu9a-1su7A:
1.8
6hu9e-1su7A:
undetectable		 6hu9a-1su7A:
22.37
6hu9e-1su7A:
10.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6J21_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1
(Homo
sapiens) 		5 / 12 ASN A 707
ASN A 509
ILE A 128
ILE A 507
PHE A 154
 None
None
None
SF4  A1000 ( 3.8A)
None
 1.25A 6j21A-2b3xA:
undetectable		 6j21A-2b3xA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 4h4c 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Escherichia
coli) 		4 / 5 THR A 167
HIS A 124
SER A 225
SER A 226
 SF4  A 401 (-3.5A)
10D  A 402 (-4.0A)
10D  A 402 (-2.4A)
10D  A 402 (-4.3A)
 1.10A 6jmjA-4h4cA:
undetectable		 6jmjA-4h4cA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 4h4c 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Escherichia
coli) 		4 / 6 THR A 167
HIS A 124
SER A 225
SER A 226
 SF4  A 401 (-3.5A)
10D  A 402 (-4.0A)
10D  A 402 (-2.4A)
10D  A 402 (-4.3A)
 1.10A 6jogA-4h4cA:
undetectable		 6jogA-4h4cA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		 3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
(Thermus
thermophilus;
Thermus
thermophilus;
Thermus
thermophilus) 		4 / 6 THR 3 111
MET 4 321
THR 3 134
LEU 1 393
 None
SF4  3 784 ( 4.8A)
None
None
 0.99A 6mvxA-3i9v3:
undetectable
6mvxB-3i9v3:
undetectable
6mvxC-3i9v3:
undetectable		 6mvxA-3i9v3:
14.25
6mvxB-3i9v3:
14.25
6mvxC-3i9v3:
14.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NJ9_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT
(Desulfovibrio
gigas) 		5 / 12 PRO A 252
GLY A 110
GLY A 130
GLY A  75
ALA A 120
 None
SF4  A 267 ( 3.7A)
None
None
None
 1.02A 6nj9K-1yq9A:
undetectable		 6nj9K-1yq9A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QGB_E_BEZE701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
(Aromatoleum
aromaticum) 		5 / 11 GLY A  90
SER A 264
ALA A 480
SER A 666
ALA A 241
 SF4  A1984 ( 3.9A)
None
None
None
None
 1.42A 6qgbE-2ivfA:
undetectable		 6qgbE-2ivfA:
20.82