SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'ARG'


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.
1A28_B_STRB2_1
(PROGESTERONE
RECEPTOR)		 1gc7 RADIXIN
(Mus
musculus) 		5 / 12 LEU A  29
LEU A  59
ARG A 279
LEU A  76
THR A  24
 LEU  A  29 ( 0.6A)
LEU  A  59 ( 0.6A)
ARG  A 279 ( 0.6A)
LEU  A  76 ( 0.6A)
THR  A  24 ( 0.8A)
 1.41A 1a28B-1gc7A:
undetectable		 1a28B-1gc7A:
22.42
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 2bty ACETYLGLUTAMATE
KINASE
(Thermotoga
maritima) 		5 / 12 HIS A 253
PHE A  24
PHE A  19
ALA A 251
GLY A 250
 ARG  A1283 ( 4.9A)
None
ARG  A1283 (-4.7A)
None
None
 1.37A 1a4lD-2btyA:
undetectable		 1a4lD-2btyA:
22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1AQ7_B_AG2B4_1
(TRYPSIN
AERUGINOSIN 98-B)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		8 / 8 HIS A  56
ASP A 189
SER A 190
GLN A 192
SER A 195
VAL A 210
GLY A 213
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-3.1A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.50A 1aq7A-1pq5A:
34.1		 1aq7A-1pq5A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1BCU_H_PRLH280_0
(ALPHA-THROMBIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 9 ASP A 189
SER A 195
VAL A 210
TRP A 212
GLY A 213
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.40A 1bcuH-1pq5A:
33.3		 1bcuH-1pq5A:
34.87
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.
1CMA_A_SAMA105_0
(PROTEIN (MET
REPRESSOR))		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		4 / 8 GLU A 297
ARG A 293
LEU A 273
GLU A 270
 GLU  A 297 ( 0.6A)
ARG  A 293 ( 0.6A)
LEU  A 273 ( 0.6A)
GLU  A 270 ( 0.6A)
 1.06A 1cmaA-5ep8A:
undetectable
1cmaB-5ep8A:
undetectable		 1cmaA-5ep8A:
17.07
1cmaB-5ep8A:
17.07
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.
1D4F_A_ADNA601_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		4 / 5 THR A  97
GLU A  84
THR A  86
HIS A 189
 None
ARG  A 403 (-3.5A)
ARG  A 403 (-3.4A)
FE  A 401 (-3.3A)
 1.44A 1d4fA-5lunA:
undetectable		 1d4fA-5lunA:
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.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 2zfz ARGININE REPRESSOR
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 134
LEU A 101
THR A 142
ILE A 149
THR A  94
 None
None
ARG  A 300 (-4.3A)
None
None
 1.10A 1ddsA-2zfzA:
undetectable		 1ddsA-2zfzA:
20.75
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.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		 5e37 EF-HAND
DOMAIN-CONTAINING
THIOREDOXIN
(Chlamydomonas
reinhardtii) 		5 / 12 ALA A 130
THR A 272
ILE A 275
ARG A 279
THR A 131
 ALA  A 130 ( 0.0A)
THR  A 272 ( 0.8A)
ILE  A 275 ( 0.6A)
ARG  A 279 ( 0.6A)
THR  A 131 ( 0.8A)
 1.10A 1ddsA-5e37A:
undetectable		 1ddsA-5e37A:
17.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1DWC_H_MITH1_1
(ALPHA-THROMBIN
(LARGE SUBUNIT))		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 9 HIS A  56
ASP A 189
SER A 195
TRP A 212
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-2.0A)
ARG  A 703 (-2.3A)
None
ARG  A 703 (-2.6A)
 0.40A 1dwcH-1pq5A:
32.4		 1dwcH-1pq5A:
34.87
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.
1DZ6_A_CAMA502_0
(CYTOCHROME P450-CAM)		 5lt9 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
PCTB
(Pseudomonas
aeruginosa) 		4 / 5 PHE A  99
LEU A 117
VAL A 153
ASP A 173
 ARG  A 301 (-3.6A)
ARG  A 301 (-4.7A)
None
ARG  A 301 (-3.1A)
 1.21A 1dz6A-5lt9A:
undetectable		 1dz6A-5lt9A:
20.28
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.
1E71_M_ASCM995_0
(MYROSINASE MA1)		 5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE
(Thymus
vulgaris) 		4 / 7 ILE A 204
ARG A 161
PHE A 157
PHE A 183
 ILE  A 204 ( 0.7A)
ARG  A 161 (-0.6A)
PHE  A 157 ( 1.3A)
PHE  A 183 ( 1.3A)
 1.09A 1e71M-5c05A:
undetectable		 1e71M-5c05A:
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.
1E72_M_ASCM995_0
(MYROSINASE MA1)		 5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE
(Thymus
vulgaris) 		4 / 7 ILE A 204
ARG A 161
PHE A 157
PHE A 183
 ILE  A 204 ( 0.7A)
ARG  A 161 (-0.6A)
PHE  A 157 ( 1.3A)
PHE  A 183 ( 1.3A)
 1.12A 1e72M-5c05A:
undetectable		 1e72M-5c05A:
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.
1E73_M_ASCM995_0
(MYROSINASE MA1)		 5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE
(Thymus
vulgaris) 		4 / 6 ILE A 204
ARG A 161
PHE A 157
PHE A 183
 ILE  A 204 ( 0.7A)
ARG  A 161 (-0.6A)
PHE  A 157 ( 1.3A)
PHE  A 183 ( 1.3A)
 1.07A 1e73M-5c05A:
undetectable		 1e73M-5c05A:
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.
1E7B_A_HLTA4002_1
(SERUM ALBUMIN)		 4non FERROUS IRON UPTAKE
TRANSPORTER PROTEIN
B
(Streptococcus
thermophilus) 		4 / 4 ARG A 197
ALA A 200
ALA A 179
GLU A 177
 ARG  A 197 ( 0.6A)
ALA  A 200 ( 0.0A)
ALA  A 179 ( 0.0A)
GLU  A 177 ( 0.6A)
 0.96A 1e7bA-4nonA:
undetectable		 1e7bA-4nonA:
16.55
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.
1E7B_B_HLTB4001_1
(SERUM ALBUMIN)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		4 / 4 ARG A 289
LYS A 291
ASP A 306
GLY A 304
 ARG  A 289 ( 0.6A)
LYS  A 291 ( 0.0A)
ASP  A 306 ( 0.5A)
GLY  A 304 ( 0.0A)
 1.28A 1e7bB-1fxjA:
0.0		 1e7bB-1fxjA:
19.56
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.
1E7B_B_HLTB4002_1
(SERUM ALBUMIN)		 4non FERROUS IRON UPTAKE
TRANSPORTER PROTEIN
B
(Streptococcus
thermophilus) 		4 / 4 ARG A 197
ALA A 200
ALA A 179
GLU A 177
 ARG  A 197 ( 0.6A)
ALA  A 200 ( 0.0A)
ALA  A 179 ( 0.0A)
GLU  A 177 ( 0.6A)
 0.97A 1e7bB-4nonA:
undetectable		 1e7bB-4nonA:
16.55
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.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		4 / 5 ARG A 289
LYS A 291
ASP A 306
GLY A 304
 ARG  A 289 ( 0.6A)
LYS  A 291 ( 0.0A)
ASP  A 306 ( 0.5A)
GLY  A 304 ( 0.0A)
 1.19A 1e7cA-1fxjA:
undetectable		 1e7cA-1fxjA:
19.56
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.
1E7C_A_HLTA4002_1
(SERUM ALBUMIN)		 3ig0 DNA GYRASE SUBUNIT B
(Mycobacterium
tuberculosis) 		4 / 5 ARG A 631
ALA A 564
LYS A 526
GLU A 454
 ARG  A 631 ( 0.6A)
ALA  A 564 ( 0.0A)
LYS  A 526 ( 0.0A)
GLU  A 454 ( 0.6A)
 1.09A 1e7cA-3ig0A:
undetectable		 1e7cA-3ig0A:
17.65
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.
1E7C_A_HLTA4002_1
(SERUM ALBUMIN)		 4non FERROUS IRON UPTAKE
TRANSPORTER PROTEIN
B
(Streptococcus
thermophilus) 		4 / 5 ARG A 197
ALA A 200
ALA A 179
GLU A 177
 ARG  A 197 ( 0.6A)
ALA  A 200 ( 0.0A)
ALA  A 179 ( 0.0A)
GLU  A 177 ( 0.6A)
 0.95A 1e7cA-4nonA:
undetectable		 1e7cA-4nonA:
16.55
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.
1ETB_2_T442129_1
(TRANSTHYRETIN)		 5lt9 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
PCTB
(Pseudomonas
aeruginosa) 		4 / 6 GLU A  89
THR A 114
ALA A 111
LEU A 102
 None
None
ARG  A 301 (-3.3A)
None
 1.02A 1etb2-5lt9A:
undetectable		 1etb2-5lt9A:
15.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ETR_H_MITH1_1
(EPSILON-THROMBIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		7 / 12 HIS A  56
ASP A 189
SER A 195
VAL A 210
TRP A 212
GLY A 213
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-2.0A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.54A 1etrH-1pq5A:
32.5		 1etrH-1pq5A:
35.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1F5L_A_AMRA301_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 8 ASP A 189
SER A 190
SER A 195
VAL A 210
GLY A 213
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.38A 1f5lA-1pq5A:
34.0		 1f5lA-1pq5A:
33.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G50_A_ESTA600_1
(ESTROGEN RECEPTOR)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 11 LEU A 222
ALA A 113
GLU A 116
ARG A 234
LEU A 187
 LEU  A 222 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 116 ( 0.5A)
ARG  A 234 ( 0.6A)
LEU  A 187 ( 0.5A)
 1.21A 1g50A-3wd7A:
undetectable		 1g50A-3wd7A:
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.
1GM7_B_PNNB1577_0
(PENICILLIN G ACYLASE
ALPHA SUBUNIT
PENICILLIN G ACYLASE
BETA SUBUNIT)		 4i62 AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING
PROTEIN, PUTATIVE
(Streptococcus
pneumoniae) 		4 / 8 SER A 175
PHE A  48
SER A 109
ILE A 159
 None
ARG  A 301 (-3.4A)
ARG  A 301 (-2.8A)
ARG  A 301 (-4.0A)
 1.08A 1gm7A-4i62A:
undetectable
1gm7B-4i62A:
undetectable		 1gm7A-4i62A:
21.75
1gm7B-4i62A:
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.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		6 / 12 ARG A 134
PRO A 159
VAL A  93
LEU A  83
ALA A  79
PHE A  68
 ARG  A 134 ( 0.6A)
PRO  A 159 ( 1.1A)
VAL  A  93 ( 0.6A)
LEU  A  83 ( 0.6A)
ALA  A  79 ( 0.0A)
PHE  A  68 ( 1.3A)
 1.44A 1gseB-2vbfA:
undetectable		 1gseB-2vbfA:
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.
1GSF_A_EAAA223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 4zv1 ANCQR
(synthetic
construct) 		4 / 8 TYR A  93
PHE A  94
GLY A  76
PHE A  35
 None
None
ARG  A 301 (-4.5A)
None
 0.73A 1gsfA-4zv1A:
undetectable		 1gsfA-4zv1A:
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.
1GSF_B_EAAB223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 4zv1 ANCQR
(synthetic
construct) 		4 / 8 TYR A  93
PHE A  94
GLY A  76
PHE A  35
 None
None
ARG  A 301 (-4.5A)
None
 0.73A 1gsfB-4zv1A:
undetectable		 1gsfB-4zv1A:
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.
1GSF_C_EAAC223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 4zv1 ANCQR
(synthetic
construct) 		4 / 8 TYR A  93
PHE A  94
GLY A  76
PHE A  35
 None
None
ARG  A 301 (-4.5A)
None
 0.73A 1gsfC-4zv1A:
undetectable		 1gsfC-4zv1A:
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.
1GSF_D_EAAD223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 4zv1 ANCQR
(synthetic
construct) 		4 / 8 TYR A  93
PHE A  94
GLY A  76
PHE A  35
 None
None
ARG  A 301 (-4.5A)
None
 0.73A 1gsfD-4zv1A:
undetectable		 1gsfD-4zv1A:
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.
1HRK_A_CHDA1502_0
(FERROCHELATASE)		 5ve2 ENOYL-COA HYDRATASE
(Pseudoalteromona
s
atlantica) 		4 / 8 ARG A 161
LEU A 163
VAL A 148
GLY A 149
 ARG  A 161 ( 0.6A)
LEU  A 163 ( 0.5A)
VAL  A 148 ( 0.6A)
GLY  A 149 ( 0.0A)
 1.02A 1hrkA-5ve2A:
undetectable		 1hrkA-5ve2A:
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.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 2qj6 TOXIN A
(Clostridioides
difficile) 		5 / 12 THR A 256
ARG A 271
LEU A 273
TYR A 250
TYR A 268
 THR  A 256 ( 0.8A)
ARG  A 271 ( 0.6A)
LEU  A 273 ( 0.5A)
TYR  A 250 ( 1.3A)
TYR  A 268 ( 1.3A)
 1.28A 1httC-2qj6A:
undetectable		 1httC-2qj6A:
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.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 2qj6 TOXIN A
(Clostridioides
difficile) 		5 / 12 THR A 256
ARG A 271
LEU A 273
TYR A 250
TYR A 268
 THR  A 256 ( 0.8A)
ARG  A 271 ( 0.6A)
LEU  A 273 ( 0.5A)
TYR  A 250 ( 1.3A)
TYR  A 268 ( 1.3A)
 1.28A 1httD-2qj6A:
undetectable		 1httD-2qj6A:
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.
1HXB_A_ROCA100_2
(HIV-1 PROTEASE)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		3 / 3 ARG A 455
THR A  59
VAL A  90
 ARG  A 455 ( 0.6A)
THR  A  59 ( 0.8A)
VAL  A  90 ( 0.6A)
 0.94A 1hxbA-4kqnA:
undetectable		 1hxbA-4kqnA:
11.14
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.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.71A 1j36A-4j3bA:
6.8		 1j36A-4j3bA:
21.51
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.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 12 HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.73A 1j36A-4xmvA:
7.3		 1j36A-4xmvA:
22.44
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.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.72A 1j36B-4j3bA:
6.7		 1j36B-4j3bA:
21.51
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.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 12 HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.73A 1j36B-4xmvA:
7.7		 1j36B-4xmvA:
22.44
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.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 11 HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.70A 1j37A-4j3bA:
3.2		 1j37A-4j3bA:
21.51
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.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 11 HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.72A 1j37A-4xmvA:
5.1		 1j37A-4xmvA:
22.44
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.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 11 HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.70A 1j37B-4j3bA:
3.7		 1j37B-4j3bA:
21.51
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.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 11 HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.73A 1j37B-4xmvA:
3.9		 1j37B-4xmvA:
22.44
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.
1JB0_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens) 		5 / 11 PHE A 106
ARG B  36
ALA B  33
LEU B  37
ALA B  38
 PHE  A 106 ( 1.3A)
ARG  B  36 ( 0.6A)
ALA  B  33 ( 0.0A)
LEU  B  37 ( 0.6A)
ALA  B  38 ( 0.0A)
 1.33A 1jb0B-6c0wA:
undetectable		 1jb0B-6c0wA:
5.81
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.
1JKH_A_EFZA999_1
(HIV-1 RT, A-CHAIN
HIV-1 RT, B-CHAIN)		 4rf7 ARGININE KINASE
(Anthopleura
japonica) 		5 / 11 LEU A  35
VAL A  71
GLY A  70
TRP A  55
LEU A  54
 None
None
ARG  A 805 (-3.8A)
None
None
 1.45A 1jkhA-4rf7A:
undetectable
1jkhB-4rf7A:
3.3		 1jkhA-4rf7A:
22.85
1jkhB-4rf7A:
22.53
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.
1K2T_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 1k2tA-5bs1A:
undetectable
1k2tB-5bs1A:
undetectable		 1k2tA-5bs1A:
14.56
1k2tB-5bs1A:
14.56
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.
1KIA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4xfj ARGININOSUCCINATE
SYNTHASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 6 TYR A 272
ASN A 123
TYR A  87
TYR A 312
 None
ARG  A 503 (-3.9A)
None
ARG  A 503 ( 4.5A)
 1.38A 1kiaA-4xfjA:
undetectable		 1kiaA-4xfjA:
22.20
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.
1KIA_B_ACTB1294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4xfj ARGININOSUCCINATE
SYNTHASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 6 TYR A 272
ASN A 123
TYR A  87
TYR A 312
 None
ARG  A 503 (-3.9A)
None
ARG  A 503 ( 4.5A)
 1.37A 1kiaB-4xfjA:
undetectable		 1kiaB-4xfjA:
22.20
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.
1KIA_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4xfj ARGININOSUCCINATE
SYNTHASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 7 TYR A 272
ASN A 123
TYR A  87
TYR A 312
 None
ARG  A 503 (-3.9A)
None
ARG  A 503 ( 4.5A)
 1.37A 1kiaC-4xfjA:
undetectable		 1kiaC-4xfjA:
22.20
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.
1KIA_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4xfj ARGININOSUCCINATE
SYNTHASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 7 TYR A 272
ASN A 123
TYR A  87
TYR A 312
 None
ARG  A 503 (-3.9A)
None
ARG  A 503 ( 4.5A)
 1.37A 1kiaD-4xfjA:
2.4		 1kiaD-4xfjA:
22.20
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.
1KT6_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 11 LEU A 137
ALA A 170
VAL A 136
LEU A 113
ARG A 117
 LEU  A 137 ( 0.6A)
ALA  A 170 ( 0.0A)
VAL  A 136 ( 0.6A)
LEU  A 113 ( 0.6A)
ARG  A 117 ( 0.6A)
 1.43A 1kt6A-3ab7A:
undetectable		 1kt6A-3ab7A:
19.19
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.
1M00_B_H4BB1760_1
(NITRIC-OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 1m00A-5bs1A:
undetectable
1m00B-5bs1A:
undetectable		 1m00A-5bs1A:
14.56
1m00B-5bs1A:
14.56
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.
1M8E_B_H4BB903_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE
(Saccharomonospor
a
viridis) 		3 / 3 ARG A 348
ILE A 342
TRP A 364
 ARG  A 348 ( 0.6A)
ILE  A 342 ( 0.7A)
TRP  A 364 ( 0.5A)
 1.22A 1m8eB-4jbeA:
undetectable		 1m8eB-4jbeA:
22.97
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.
1M9J_A_CLWA906_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 5lt9 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
PCTB
(Pseudomonas
aeruginosa) 		4 / 5 PRO A 127
TYR A 144
MET A 145
GLU A 146
 None
ARG  A 301 (-4.6A)
None
ARG  A 301 (-4.0A)
 1.12A 1m9jA-5lt9A:
undetectable		 1m9jA-5lt9A:
20.37
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.
1M9J_B_CLWB907_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 5lt9 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
PCTB
(Pseudomonas
aeruginosa) 		4 / 5 PRO A 127
TYR A 144
MET A 145
GLU A 146
 None
ARG  A 301 (-4.6A)
None
ARG  A 301 (-4.0A)
 1.15A 1m9jB-5lt9A:
undetectable		 1m9jB-5lt9A:
20.37
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.
1MMV_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 1mmvA-5bs1A:
undetectable
1mmvB-5bs1A:
undetectable		 1mmvA-5bs1A:
14.56
1mmvB-5bs1A:
14.56
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.
1MMV_B_H4BB2760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 1mmvA-5bs1A:
undetectable
1mmvB-5bs1A:
undetectable		 1mmvA-5bs1A:
14.56
1mmvB-5bs1A:
14.56
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 LEU A  12
LEU A 150
ARG A 148
THR A 135
ALA A 133
 LEU  A  12 ( 0.6A)
LEU  A 150 ( 0.5A)
ARG  A 148 ( 0.6A)
THR  A 135 ( 0.8A)
ALA  A 133 ( 0.0A)
 1.15A 1n5xA-2vbfA:
undetectable		 1n5xA-2vbfA:
19.09
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 LEU A  12
LEU A 150
ARG A 148
THR A 135
ALA A 133
 LEU  A  12 ( 0.6A)
LEU  A 150 ( 0.5A)
ARG  A 148 ( 0.6A)
THR  A 135 ( 0.8A)
ALA  A 133 ( 0.0A)
 1.15A 1n5xB-2vbfA:
undetectable		 1n5xB-2vbfA:
19.09
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.
1NBH_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4xfj ARGININOSUCCINATE
SYNTHASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 6 TYR A 272
ASN A 123
TYR A  87
TYR A 312
 None
ARG  A 503 (-3.9A)
None
ARG  A 503 ( 4.5A)
 1.38A 1nbhA-4xfjA:
undetectable		 1nbhA-4xfjA:
22.20
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.
1NBH_B_ACTB1294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4xfj ARGININOSUCCINATE
SYNTHASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 7 TYR A 272
ASN A 123
TYR A  87
TYR A 312
 None
ARG  A 503 (-3.9A)
None
ARG  A 503 ( 4.5A)
 1.38A 1nbhB-4xfjA:
undetectable		 1nbhB-4xfjA:
22.20
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.
1NBH_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4xfj ARGININOSUCCINATE
SYNTHASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 6 TYR A 272
ASN A 123
TYR A  87
TYR A 312
 None
ARG  A 503 (-3.9A)
None
ARG  A 503 ( 4.5A)
 1.38A 1nbhC-4xfjA:
undetectable		 1nbhC-4xfjA:
22.20
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.
1NBH_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4xfj ARGININOSUCCINATE
SYNTHASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 7 TYR A 272
ASN A 123
TYR A  87
TYR A 312
 None
ARG  A 503 (-3.9A)
None
ARG  A 503 ( 4.5A)
 1.38A 1nbhD-4xfjA:
undetectable		 1nbhD-4xfjA:
22.20
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 8 ARG A 369
TYR A 348
GLU A 373
SER A 224
 ARG  A 369 ( 0.6A)
TYR  A 348 ( 1.3A)
GLU  A 373 ( 0.5A)
SER  A 224 ( 0.0A)
 1.19A 1nx9A-2ogsA:
10.2		 1nx9A-2ogsA:
23.98
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 8 ARG A 369
TYR A 348
GLU A 373
SER A 224
 ARG  A 369 ( 0.6A)
TYR  A 348 ( 1.3A)
GLU  A 373 ( 0.5A)
SER  A 224 ( 0.0A)
 1.19A 1nx9B-2ogsA:
16.6		 1nx9B-2ogsA:
23.98
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 8 ARG A 369
TYR A 348
GLU A 373
SER A 224
 ARG  A 369 ( 0.6A)
TYR  A 348 ( 1.3A)
GLU  A 373 ( 0.5A)
SER  A 224 ( 0.0A)
 1.18A 1nx9C-2ogsA:
10.2		 1nx9C-2ogsA:
23.98
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 8 ARG A 369
TYR A 348
GLU A 373
SER A 224
 ARG  A 369 ( 0.6A)
TYR  A 348 ( 1.3A)
GLU  A 373 ( 0.5A)
SER  A 224 ( 0.0A)
 1.18A 1nx9D-2ogsA:
16.5		 1nx9D-2ogsA:
23.98
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.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.67A 1o86A-4j3bA:
7.8		 1o86A-4j3bA:
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.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 12 HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.69A 1o86A-4xmvA:
7.7		 1o86A-4xmvA:
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.
1OM4_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 1om4A-5bs1A:
undetectable
1om4B-5bs1A:
undetectable		 1om4A-5bs1A:
14.45
1om4B-5bs1A:
14.45
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.
1OM4_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 1om4A-5bs1A:
undetectable
1om4B-5bs1A:
undetectable		 1om4A-5bs1A:
14.45
1om4B-5bs1A:
14.45
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.
1OM5_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 1om5A-5bs1A:
undetectable
1om5B-5bs1A:
undetectable		 1om5A-5bs1A:
14.49
1om5B-5bs1A:
14.49
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.
1ONI_D_BEZD507_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		4 / 7 ARG A 277
ALA A 279
ILE A 186
ILE A  95
 OGA  A 402 (-2.7A)
OGA  A 402 (-3.6A)
ARG  A 403 (-4.7A)
None
 0.79A 1oniD-5lunA:
undetectable
1oniF-5lunA:
undetectable		 1oniD-5lunA:
17.01
1oniF-5lunA:
17.01
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.
1P6J_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 1p6jA-5bs1A:
undetectable
1p6jB-5bs1A:
undetectable		 1p6jA-5bs1A:
14.49
1p6jB-5bs1A:
14.49
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.
1P6K_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 1p6kA-5bs1A:
undetectable
1p6kB-5bs1A:
undetectable		 1p6kA-5bs1A:
14.49
1p6kB-5bs1A:
14.49
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.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)		 1f7u ARGINYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		5 / 11 HIS A 159
GLY A 161
HIS A 162
ILE A 371
VAL A 405
 None
None
None
ARG  A 800 (-4.2A)
None
 0.70A 1pg2A-1f7uA:
21.7		 1pg2A-1f7uA:
21.65
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 6gpc -
(-) 		5 / 11 SER A  16
GLY A  14
VAL A  53
SER A  74
ILE A  69
 ARG  A 301 (-3.9A)
None
None
ARG  A 301 (-3.0A)
None
 1.23A 1pk9C-6gpcA:
undetectable		 1pk9C-6gpcA:
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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		 3n26 AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN
(Chlamydia
pneumoniae) 		4 / 6 TYR A  41
GLU A 186
PRO A 187
VAL A 192
 ARG  A 500 (-3.5A)
ARG  A 500 (-2.9A)
None
None
 1.14A 1q13A-3n26A:
undetectable		 1q13A-3n26A:
23.88
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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		 3qax PROBABLE ABC
TRANSPORTER
ARGININE-BINDING
PROTEIN ARTJ
(Chlamydia
pneumoniae) 		4 / 6 TYR A  20
GLU A 165
PRO A 166
VAL A 171
 ARG  A 600 (-3.4A)
ARG  A 600 (-3.1A)
None
None
 1.12A 1q13A-3qaxA:
undetectable		 1q13A-3qaxA:
24.55
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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		 4oby ARGININE--TRNA
LIGASE
(Escherichia
coli) 		4 / 6 TYR A 323
TYR A 261
HIS A 158
VAL A 116
 None
None
ARG  A 601 (-3.7A)
None
 1.11A 1q13A-4obyA:
undetectable		 1q13A-4obyA:
20.66
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.
1QW6_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4rf7 ARGININE KINASE
(Anthopleura
japonica) 		3 / 3 ARG A 128
VAL A 224
TRP A 225
 ARG  A 806 (-4.3A)
None
None
 0.95A 1qw6A-4rf7A:
undetectable		 1qw6A-4rf7A:
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.
1QWC_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4oby ARGININE--TRNA
LIGASE
(Escherichia
coli) 		3 / 3 ARG A 324
VAL A 352
TRP A 349
 ARG  A 601 ( 4.6A)
None
None
 1.25A 1qwcA-4obyA:
1.8		 1qwcA-4obyA:
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.
1QWC_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4rf7 ARGININE KINASE
(Anthopleura
japonica) 		3 / 3 ARG A 128
VAL A 224
TRP A 225
 ARG  A 806 (-4.3A)
None
None
 0.93A 1qwcA-4rf7A:
undetectable		 1qwcA-4rf7A:
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.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		4 / 8 SER A 112
ARG A 116
ASN A 135
TRP A 320
 SER  A 112 ( 0.0A)
ARG  A 116 ( 0.6A)
ASN  A 135 ( 0.6A)
TRP  A 320 ( 0.5A)
 1.27A 1rs6A-3ulkA:
undetectable		 1rs6A-3ulkA:
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.
1S1X_A_NVPA999_1
(REVERSE
TRANSCRIPTASE)		 3tql ARGININE-BINDING
PROTEIN
(Coxiella
burnetii) 		4 / 8 VAL A 230
TYR A 125
GLY A 231
TYR A  51
 None
None
None
ARG  A   1 (-3.6A)
 1.00A 1s1xA-3tqlA:
undetectable		 1s1xA-3tqlA:
17.96
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.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE
(Saccharomonospor
a
viridis) 		4 / 7 VAL A 239
VAL A 236
TYR A 304
ARG A 249
 VAL  A 239 ( 0.6A)
VAL  A 236 ( 0.6A)
TYR  A 304 ( 1.3A)
ARG  A 249 ( 0.6A)
 1.21A 1t46A-4jbeA:
undetectable		 1t46A-4jbeA:
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.
1T6Z_A_RBFA296_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		5 / 11 THR A 311
VAL A  90
GLU A 262
ARG A 455
LEU A 179
 THR  A 311 ( 0.8A)
VAL  A  90 ( 0.6A)
GLU  A 262 ( 0.6A)
ARG  A 455 ( 0.6A)
LEU  A 179 ( 0.5A)
 1.11A 1t6zA-4kqnA:
undetectable		 1t6zA-4kqnA:
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE
(Saccharomonospor
a
viridis) 		3 / 3 SER A 209
GLY A 208
ARG A  72
 SER  A 209 (-0.0A)
GLY  A 208 (-0.0A)
ARG  A  72 ( 0.6A)
 0.52A 1t9wA-4jbeA:
undetectable		 1t9wA-4jbeA:
19.23
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.
1T9W_A_NFNA6001_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 5nqf APICAL MEMBRANE
ANTIGEN 1
(Plasmodium
falciparum) 		3 / 3 SER A 125
GLY A 126
ARG A 143
 SER  A 125 ( 0.0A)
GLY  A 126 ( 0.0A)
ARG  A 143 ( 0.6A)
 0.67A 1t9wA-5nqfA:
undetectable		 1t9wA-5nqfA:
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 GLN A 140
ALA A 117
PHE A 130
ARG A 145
 GLN  A 140 ( 0.6A)
ALA  A 117 ( 0.0A)
PHE  A 130 ( 1.3A)
ARG  A 145 ( 0.6A)
 1.22A 1t9wA-1omoA:
undetectable		 1t9wA-1omoA:
15.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1TNL_A_TPAA900_1
(TRYPSIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 210
GLY A 213
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.28A 1tnlA-1pq5A:
34.0		 1tnlA-1pq5A:
44.07
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		5 / 12 HIS A 189
ASP A 191
LEU A 206
HIS A 268
PHE A 283
 FE  A 401 (-3.3A)
FE  A 401 (-2.4A)
OGA  A 402 (-3.5A)
FE  A 401 ( 3.2A)
ARG  A 403 ( 4.2A)
 0.50A 1uobA-5lunA:
21.1		 1uobA-5lunA:
22.51
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.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		5 / 12 LEU A 261
ASP A 237
SER A 391
PHE A 236
ILE A 234
 None
ARG  A 501 ( 4.8A)
None
None
ARG  A 501 (-3.7A)
 1.27A 1uobA-6f34A:
undetectable		 1uobA-6f34A:
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.
1V54_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.91A 1v54C-4flxA:
2.6
1v54J-4flxA:
undetectable		 1v54C-4flxA:
13.49
1v54J-4flxA:
6.62
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.
1V54_P_CHDP4271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.91A 1v54P-4flxA:
undetectable
1v54W-4flxA:
undetectable		 1v54P-4flxA:
13.49
1v54W-4flxA:
6.62
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.
1V55_C_CHDC3271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE III
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.95A 1v55C-4flxA:
2.6
1v55J-4flxA:
undetectable		 1v55C-4flxA:
13.49
1v55J-4flxA:
6.62
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.
1VAG_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4oby ARGININE--TRNA
LIGASE
(Escherichia
coli) 		3 / 3 ARG A 324
VAL A 352
TRP A 349
 ARG  A 601 ( 4.6A)
None
None
 1.27A 1vagA-4obyA:
undetectable		 1vagA-4obyA:
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.
1VAG_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4rf7 ARGININE KINASE
(Anthopleura
japonica) 		3 / 3 ARG A 128
VAL A 224
TRP A 225
 ARG  A 806 (-4.3A)
None
None
 0.91A 1vagA-4rf7A:
undetectable		 1vagA-4rf7A:
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.
1VPT_A_SAMA400_1
(VP39)		 2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS
(Bacillus
subtilis) 		3 / 3 ASP A 141
ARG A 128
ASP A 247
 None
ARG  A2000 (-4.0A)
None
 0.91A 1vptA-2an2A:
undetectable		 1vptA-2an2A:
23.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WOP_A_FFOA2887_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		6 / 12 MET A  56
TYR A 113
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 1.15A 1wopA-1wsvA:
50.1		 1wopA-1wsvA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WOP_A_FFOA2887_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		7 / 12 MET A  56
VAL A 115
ASN A 117
TYR A 371
TYR A 197
ARG A 233
TRP A 262
 MET  A  56 (-0.0A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 371 (-1.3A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
TRP  A 262 ( 0.5A)
 1.09A 1wopA-1wsvA:
50.1		 1wopA-1wsvA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WOP_A_FFOA2887_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 VAL A 115
TYR A 113
ASN A 117
TYR A 197
ARG A 233
 VAL  A 115 (-0.6A)
TYR  A 113 ( 1.3A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 1.48A 1wopA-1wsvA:
50.1		 1wopA-1wsvA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WSV_A_THHA3001_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		12 / 12 MET A  56
THR A  87
LEU A  88
ILE A 103
VAL A 115
ASN A 117
PHE A 176
MET A 177
TYR A 197
ARG A 233
LEU A 242
TRP A 262
 MET  A  56 (-0.0A)
THR  A  87 ( 0.8A)
LEU  A  88 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
PHE  A 176 (-1.3A)
MET  A 177 (-0.0A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
LEU  A 242 (-0.6A)
TRP  A 262 ( 0.5A)
 0.02A 1wsvA-1wsvA:
66.6		 1wsvA-1wsvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WSV_B_THHB4001_1
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		4 / 4 ASP A 101
GLU A 204
ARG A 233
TYR A 371
 ASP  A 101 (-0.6A)
GLU  A 204 (-0.5A)
ARG  A 233 (-0.6A)
TYR  A 371 (-1.3A)
 0.23A 1wsvB-1wsvA:
62.3		 1wsvB-1wsvA:
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.
1XDK_B_9CRB600_2
(RETINOIC ACID
RECEPTOR, BETA)		 2qv2 INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1
(Homo
sapiens) 		3 / 3 LEU A 310
PHE A 331
ARG A 274
 LEU  A 310 ( 0.6A)
PHE  A 331 ( 1.3A)
ARG  A 274 ( 0.6A)
 0.72A 1xdkB-2qv2A:
undetectable		 1xdkB-2qv2A:
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.
1XDK_B_9CRB600_2
(RETINOIC ACID
RECEPTOR, BETA)		 3bpo INTERLEUKIN-13
RECEPTOR ALPHA-1
CHAIN
(Homo
sapiens) 		3 / 3 LEU C 258
PHE C 253
ARG C 225
 LEU  C 258 ( 0.5A)
PHE  C 253 ( 1.3A)
ARG  C 225 ( 0.6A)
 0.76A 1xdkB-3bpoC:
undetectable		 1xdkB-3bpoC:
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.
1XDK_F_9CRF1600_2
(RETINOIC ACID
RECEPTOR, BETA)		 2qv2 INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1
(Homo
sapiens) 		3 / 3 LEU A 310
PHE A 331
ARG A 274
 LEU  A 310 ( 0.6A)
PHE  A 331 ( 1.3A)
ARG  A 274 ( 0.6A)
 0.72A 1xdkF-2qv2A:
undetectable		 1xdkF-2qv2A:
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.
1XDK_F_9CRF1600_2
(RETINOIC ACID
RECEPTOR, BETA)		 3bpo INTERLEUKIN-13
RECEPTOR ALPHA-1
CHAIN
(Homo
sapiens) 		3 / 3 LEU C 258
PHE C 253
ARG C 225
 LEU  C 258 ( 0.5A)
PHE  C 253 ( 1.3A)
ARG  C 225 ( 0.6A)
 0.76A 1xdkF-3bpoC:
undetectable		 1xdkF-3bpoC:
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.
1XOQ_B_ROFB501_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		3 / 3 MET A 313
ASN A 218
GLN A 256
 ARG  A 403 ( 4.6A)
None
None
 0.97A 1xoqB-5lunA:
undetectable		 1xoqB-5lunA:
19.65
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.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 LYS A 592
TYR A 594
ARG A 407
TYR A 545
 LYS  A 592 (-0.0A)
TYR  A 594 (-1.3A)
ARG  A 407 ( 0.6A)
TYR  A 545 ( 1.3A)
 1.35A 1xqlA-4flxA:
undetectable
1xqlB-4flxA:
undetectable		 1xqlA-4flxA:
21.34
1xqlB-4flxA:
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.
1XQL_B_4AXB505_1
(ALANINE RACEMASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 LYS A 592
TYR A 594
ARG A 407
TYR A 545
 LYS  A 592 (-0.0A)
TYR  A 594 (-1.3A)
ARG  A 407 ( 0.6A)
TYR  A 545 ( 1.3A)
 1.39A 1xqlA-4flxA:
undetectable
1xqlB-4flxA:
undetectable		 1xqlA-4flxA:
21.34
1xqlB-4flxA:
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.
1XVA_B_SAMB293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4rf7 ARGININE KINASE
(Anthopleura
japonica) 		5 / 12 ALA A 201
ASP A 196
SER A  60
ILE A  90
TYR A  79
 None
None
ARG  A 805 ( 4.8A)
None
None
 1.31A 1xvaB-4rf7A:
undetectable		 1xvaB-4rf7A:
20.22
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.
1ZUC_B_T98B202_1
(PROGESTERONE
RECEPTOR)		 1gc7 RADIXIN
(Mus
musculus) 		5 / 12 LEU A  29
LEU A  59
ARG A 279
LEU A  76
THR A  24
 LEU  A  29 ( 0.6A)
LEU  A  59 ( 0.6A)
ARG  A 279 ( 0.6A)
LEU  A  76 ( 0.6A)
THR  A  24 ( 0.8A)
 1.28A 1zucB-1gc7A:
undetectable		 1zucB-1gc7A:
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.
1ZVI_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4rf7 ARGININE KINASE
(Anthopleura
japonica) 		3 / 3 ARG A 128
VAL A 224
TRP A 225
 ARG  A 806 (-4.3A)
None
None
 0.89A 1zviA-4rf7A:
2.2		 1zviA-4rf7A:
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.
1ZZQ_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 1zzqA-5bs1A:
undetectable
1zzqB-5bs1A:
undetectable		 1zzqA-5bs1A:
14.52
1zzqB-5bs1A:
14.52
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.
1ZZU_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.27A 1zzuA-5bs1A:
undetectable
1zzuB-5bs1A:
undetectable		 1zzuA-5bs1A:
14.52
1zzuB-5bs1A:
14.52
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.
2A3A_A_TEPA1436_1
(CHITINASE)		 1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens) 		3 / 3 ASP A 279
PHE A 224
ARG A 330
 ASP  A 279 ( 0.6A)
PHE  A 224 ( 1.3A)
ARG  A 330 ( 0.6A)
 0.82A 2a3aA-1txuA:
undetectable		 2a3aA-1txuA:
18.82
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.
2A3A_A_TEPA1436_1
(CHITINASE)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		3 / 3 ASP A  48
PHE A 289
ARG A  51
 ASP  A  48 ( 0.6A)
PHE  A 289 ( 1.3A)
ARG  A  51 ( 0.6A)
 0.85A 2a3aA-3r9rA:
undetectable		 2a3aA-3r9rA:
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.
2A3C_A_PNXA1435_1
(CHITINASE)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		4 / 6 TYR A 716
GLY A 597
SER A 605
ARG A 596
 TYR  A 716 ( 1.3A)
GLY  A 597 ( 0.0A)
SER  A 605 ( 0.0A)
ARG  A 596 ( 0.6A)
 1.24A 2a3cA-1v0fA:
undetectable		 2a3cA-1v0fA:
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.
2A3C_A_PNXA1435_1
(CHITINASE)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		4 / 6 TYR A 177
GLY A 192
PHE A 193
ARG A 252
 TYR  A 177 ( 1.3A)
GLY  A 192 (-0.0A)
PHE  A 193 (-1.3A)
ARG  A 252 (-0.6A)
 1.38A 2a3cA-4c9gA:
undetectable		 2a3cA-4c9gA:
23.06
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.
2A3C_B_PNXB2434_1
(CHITINASE)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		4 / 6 TYR A 716
GLY A 597
SER A 605
ARG A 596
 TYR  A 716 ( 1.3A)
GLY  A 597 ( 0.0A)
SER  A 605 ( 0.0A)
ARG  A 596 ( 0.6A)
 1.22A 2a3cB-1v0fA:
undetectable		 2a3cB-1v0fA:
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.
2A7Q_A_CFBA328_2
(DEOXYCYTIDINE KINASE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 4 ILE A 248
ASP A 275
LEU A 270
ARG A 247
 ILE  A 248 ( 0.7A)
ASP  A 275 ( 0.5A)
LEU  A 270 ( 0.6A)
ARG  A 247 ( 0.6A)
 1.46A 2a7qA-2nvvA:
undetectable		 2a7qA-2nvvA:
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.
2B25_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		5 / 12 GLY A 330
GLY A 324
VAL A 250
ARG A 248
ILE A 259
 GLY  A 330 ( 0.0A)
GLY  A 324 ( 0.0A)
VAL  A 250 ( 0.6A)
ARG  A 248 (-0.6A)
ILE  A 259 ( 0.4A)
 0.95A 2b25B-1wqaA:
undetectable		 2b25B-1wqaA:
21.96
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.
2BXE_B_1FLB2002_1
(SERUM ALBUMIN)		 4h5g AMINO ACID ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN
(Streptococcus
pneumoniae) 		5 / 11 LEU A 260
ALA A  68
GLU A  54
SER A 205
LEU A 204
 None
None
ARG  A 310 (-3.9A)
None
None
 1.07A 2bxeB-4h5gA:
undetectable		 2bxeB-4h5gA:
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.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		6 / 12 ALA A 461
HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 None
ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.66A 2c6nA-4j3bA:
6.9		 2c6nA-4j3bA:
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.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		6 / 12 ALA A 262
HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 None
ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.67A 2c6nA-4xmvA:
3.1		 2c6nA-4xmvA:
20.90
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.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.70A 2c6nB-4j3bA:
7.4		 2c6nB-4j3bA:
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.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 12 HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.74A 2c6nB-4xmvA:
undetectable		 2c6nB-4xmvA:
20.90
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.
2C8A_B_NCAB1246_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		4 / 7 GLY A  89
SER A  85
ARG A 152
GLU A  81
 GLY  A  89 (-0.0A)
SER  A  85 ( 0.0A)
ARG  A 152 ( 0.6A)
GLU  A  81 ( 0.6A)
 0.93A 2c8aB-4c9gA:
undetectable		 2c8aB-4c9gA:
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.
2C8A_D_NCAD1247_0
(MONO-ADP-RIBOSYLTRAN
SFERASE C3)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		4 / 7 GLY A  89
SER A  85
ARG A 152
GLU A  81
 GLY  A  89 (-0.0A)
SER  A  85 ( 0.0A)
ARG  A 152 ( 0.6A)
GLU  A  81 ( 0.6A)
 0.99A 2c8aD-4c9gA:
undetectable		 2c8aD-4c9gA:
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.
2CDQ_A_SAMA1500_0
(ASPARTOKINASE)		 6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB
(Yersinia
pseudotuberculos
is) 		4 / 8 SER A  62
ARG A  64
LEU A  66
GLU A  70
 SER  A  62 ( 0.0A)
ARG  A  64 ( 0.6A)
LEU  A  66 ( 0.5A)
GLU  A  70 ( 0.6A)
 0.99A 2cdqA-6gefA:
1.3		 2cdqA-6gefA:
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.
2CDQ_B_SAMB1500_0
(ASPARTOKINASE)		 6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB
(Yersinia
pseudotuberculos
is) 		4 / 7 SER A  62
ARG A  64
LEU A  66
GLU A  70
 SER  A  62 ( 0.0A)
ARG  A  64 ( 0.6A)
LEU  A  66 ( 0.5A)
GLU  A  70 ( 0.6A)
 1.10A 2cdqB-6gefA:
undetectable		 2cdqB-6gefA:
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.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		 4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE
(Saccharomonospor
a
viridis) 		5 / 10 ALA A  34
LEU A 162
SER A 173
LEU A 170
ARG A  41
 ALA  A  34 ( 0.0A)
LEU  A 162 ( 0.6A)
SER  A 173 ( 0.0A)
LEU  A 170 ( 0.6A)
ARG  A  41 ( 0.6A)
 1.35A 2ceoB-4jbeA:
undetectable		 2ceoB-4jbeA:
22.67
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.
2CML_B_ZMRB2477_2
(NEURAMINIDASE)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens) 		4 / 5 LEU A  61
ARG B  35
ARG B  36
ILE B  46
 LEU  A  61 ( 0.6A)
ARG  B  35 ( 0.6A)
ARG  B  36 ( 0.6A)
ILE  B  46 ( 0.7A)
 1.41A 2cmlB-6c0wA:
undetectable		 2cmlB-6c0wA:
11.54
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.
2CML_C_ZMRC3477_2
(NEURAMINIDASE)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens) 		4 / 5 LEU A  61
ARG B  35
ARG B  36
ILE B  46
 LEU  A  61 ( 0.6A)
ARG  B  35 ( 0.6A)
ARG  B  36 ( 0.6A)
ILE  B  46 ( 0.7A)
 1.41A 2cmlC-6c0wA:
undetectable		 2cmlC-6c0wA:
11.54
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.
2DYR_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.91A 2dyrP-4flxA:
2.6
2dyrW-4flxA:
undetectable		 2dyrP-4flxA:
13.49
2dyrW-4flxA:
6.62
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.
2DYS_P_CHDP310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.98A 2dysP-4flxA:
2.6
2dysW-4flxA:
undetectable		 2dysP-4flxA:
13.49
2dysW-4flxA:
6.62
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.
2E1Q_B_SALB3006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		4 / 4 ARG A 233
PHE A  51
THR A 198
ALA A 153
 ARG  A 233 (-0.6A)
PHE  A  51 ( 1.3A)
THR  A 198 ( 0.8A)
ALA  A 153 ( 0.0A)
 1.28A 2e1qB-1wsvA:
0.7		 2e1qB-1wsvA:
14.29
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.
2E1Q_D_SALD5006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		4 / 5 ARG A  88
THR A 129
LEU A 176
ALA A 247
 ARG  A  88 ( 0.6A)
THR  A 129 ( 0.8A)
LEU  A 176 ( 0.6A)
ALA  A 247 ( 0.0A)
 1.44A 2e1qD-3gnrA:
undetectable		 2e1qD-3gnrA:
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 7 ASP A 486
PHE A 488
ALA A 474
ARG A 393
 ASP  A 486 ( 0.6A)
PHE  A 488 ( 1.3A)
ALA  A 474 ( 0.0A)
ARG  A 393 ( 0.6A)
 1.08A 2e5dA-2ogsA:
undetectable
2e5dB-2ogsA:
undetectable		 2e5dA-2ogsA:
21.26
2e5dB-2ogsA:
21.26
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.
2EIJ_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.94A 2eijC-4flxA:
2.6
2eijJ-4flxA:
undetectable		 2eijC-4flxA:
13.49
2eijJ-4flxA:
6.62
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.
2EIK_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.95A 2eikC-4flxA:
2.6
2eikJ-4flxA:
undetectable		 2eikC-4flxA:
13.49
2eikJ-4flxA:
6.62
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.
2EIK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		4 / 7 LEU A 379
PHE A 407
ARG A 249
MET A 343
 LEU  A 379 ( 0.6A)
PHE  A 407 ( 1.3A)
ARG  A 249 ( 0.6A)
MET  A 343 ( 0.0A)
 1.01A 2eikA-3o96A:
0.5
2eikJ-3o96A:
undetectable		 2eikA-3o96A:
19.89
2eikJ-3o96A:
9.90
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.
2EIM_W_CHDW1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.97A 2eimP-4flxA:
2.6
2eimW-4flxA:
undetectable		 2eimP-4flxA:
13.49
2eimW-4flxA:
6.62
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.
2EIN_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.99A 2einC-4flxA:
2.4
2einJ-4flxA:
undetectable		 2einC-4flxA:
13.49
2einJ-4flxA:
6.62
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.
2EIN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 6 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 1.04A 2einP-4flxA:
2.4
2einW-4flxA:
undetectable		 2einP-4flxA:
13.49
2einW-4flxA:
6.62
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.
2F7F_A_NIOA601_1
(NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE, PUTATIVE)		 1ted PKS18
(Mycobacterium
tuberculosis) 		4 / 6 PHE A 354
ARG A 343
GLY A  41
THR A  42
 PHE  A 354 ( 1.3A)
ARG  A 343 ( 0.6A)
GLY  A  41 ( 0.0A)
THR  A  42 ( 0.8A)
 1.26A 2f7fA-1tedA:
undetectable		 2f7fA-1tedA:
22.94
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.
2GJ5_A_VD3A164_1
(BETA-LACTOGLOBULIN)		 5l5n PLEXIN-A4
(Mus
musculus) 		4 / 5 ASP A  76
LEU A  77
LYS A  78
ARG A 503
 ASP  A  76 ( 0.5A)
LEU  A  77 ( 0.5A)
LYS  A  78 ( 0.0A)
ARG  A 503 ( 0.6A)
 1.33A 2gj5A-5l5nA:
undetectable		 2gj5A-5l5nA:
8.51
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.
2GL0_C_ADNC903_1
(CONSERVED
HYPOTHETICAL PROTEIN)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		5 / 12 ILE A 186
THR A 190
ASN A 220
HIS A 189
SER A 226
 ARG  A 403 (-4.7A)
None
None
FE  A 401 (-3.3A)
None
 1.43A 2gl0A-5lunA:
undetectable
2gl0C-5lunA:
undetectable		 2gl0A-5lunA:
20.40
2gl0C-5lunA:
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.
2GL0_D_ADND904_1
(CONSERVED
HYPOTHETICAL PROTEIN)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		5 / 12 HIS A 189
SER A 226
ILE A 186
THR A 190
ASN A 220
 FE  A 401 (-3.3A)
None
ARG  A 403 (-4.7A)
None
None
 1.40A 2gl0D-5lunA:
undetectable
2gl0E-5lunA:
undetectable		 2gl0D-5lunA:
20.40
2gl0E-5lunA:
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.
2HA2_B_SCKB951_1
(ACETYLCHOLINESTERASE)		 5lt9 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
PCTB
(Pseudomonas
aeruginosa) 		4 / 8 TYR A 101
ASP A 173
TYR A 144
HIS A 150
 ARG  A 301 (-4.2A)
ARG  A 301 (-3.1A)
ARG  A 301 (-4.6A)
None
 1.29A 2ha2B-5lt9A:
undetectable		 2ha2B-5lt9A:
20.65
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.
2HRC_A_CHDA703_0
(FERROCHELATASE)		 5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE
(Bacillus
licheniformis) 		4 / 4 LEU A 345
PRO A 344
LEU A 348
ARG A 331
 LEU  A 345 ( 0.5A)
PRO  A 344 ( 1.1A)
LEU  A 348 ( 0.5A)
ARG  A 331 ( 0.6A)
 1.42A 2hrcA-5xluA:
undetectable		 2hrcA-5xluA:
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.
2HRE_D_CHDD702_0
(FERROCHELATASE)		 1vho ENDOGLUCANASE
(Thermotoga
maritima) 		3 / 3 ARG A 316
GLY A 243
PRO A 244
 ARG  A 316 ( 0.6A)
GLY  A 243 ( 0.0A)
PRO  A 244 ( 1.1A)
 0.70A 2hreD-1vhoA:
2.4		 2hreD-1vhoA:
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.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE
(Saccharomonospor
a
viridis) 		4 / 6 LEU A 206
VAL A 179
VAL A 201
ARG A 143
 LEU  A 206 ( 0.6A)
VAL  A 179 ( 0.6A)
VAL  A 201 ( 0.6A)
ARG  A 143 ( 0.6A)
 0.84A 2hyyA-4jbeA:
undetectable		 2hyyA-4jbeA:
19.25
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.
2I30_A_SALA1100_1
(SERUM ALBUMIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 6 PHE A 323
ARG A 298
GLY A 297
LYS A 296
 PHE  A 323 ( 1.3A)
ARG  A 298 ( 0.6A)
GLY  A 297 ( 0.0A)
LYS  A 296 ( 0.0A)
 1.14A 2i30A-2nvvA:
undetectable		 2i30A-2nvvA:
20.85
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.
2IYF_B_ERYB1399_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 3w5f BETA-GALACTOSIDASE
(Solanum
lycopersicum) 		5 / 12 TRP A 255
PHE A 232
ILE A 271
TYR A 233
ASP A 311
 None
None
None
ARG  A 806 (-4.5A)
None
 1.33A 2iyfB-3w5fA:
undetectable		 2iyfB-3w5fA:
18.55
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.
2J2P_D_SC2D1290_1
(FICOLIN-2)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		4 / 5 TRP A 332
TRP A 333
ARG A 391
LEU A 383
 TRP  A 332 ( 0.5A)
TRP  A 333 ( 0.5A)
ARG  A 391 ( 0.6A)
LEU  A 383 ( 0.6A)
 1.48A 2j2pD-3o96A:
undetectable
2j2pF-3o96A:
undetectable		 2j2pD-3o96A:
19.05
2j2pF-3o96A:
19.05
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.
2JN3_A_JN3A130_1
(FATTY ACID-BINDING
PROTEIN, LIVER)		 5i2c GATS-LIKE PROTEIN 3
(Homo
sapiens) 		5 / 12 LEU A 113
ALA A  72
GLN A  70
HIS A 175
ILE A 280
 ARG  A 401 ( 4.9A)
None
None
None
ARG  A 401 (-3.9A)
 1.01A 2jn3A-5i2cA:
undetectable		 2jn3A-5i2cA:
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		 3icc PUTATIVE
3-OXOACYL-(ACYL
CARRIER PROTEIN)
REDUCTASE
(Bacillus
anthracis) 		4 / 8 ILE A  16
ILE A  20
ARG A 139
ALA A   7
 ILE  A  16 (-0.7A)
ILE  A  20 ( 0.7A)
ARG  A 139 ( 0.6A)
ALA  A   7 ( 0.0A)
 0.64A 2nniA-3iccA:
undetectable		 2nniA-3iccA:
18.58
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.
2NNK_A_ROCA401_1
(PROTEASE)		 4h5g AMINO ACID ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN
(Streptococcus
pneumoniae) 		5 / 12 LEU A  95
GLY A 109
ALA A 108
ILE A  86
VAL A  94
 GOL  A 306 ( 4.3A)
ARG  A 310 (-4.7A)
ARG  A 310 (-3.9A)
None
None
 0.90A 2nnkA-4h5gA:
undetectable		 2nnkA-4h5gA:
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.
2OC8_A_HU5A999_1
(HEPATITIS C VIRUS)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		5 / 12 LEU A 338
GLY A 117
ARG A 340
ALA A 313
VAL A 312
 LEU  A 338 ( 0.6A)
GLY  A 117 ( 0.0A)
ARG  A 340 ( 0.6A)
ALA  A 313 ( 0.0A)
VAL  A 312 ( 0.6A)
 0.99A 2oc8A-1wqaA:
undetectable		 2oc8A-1wqaA:
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.
2OCF_A_ESTA596_1
(ESTROGEN RECEPTOR)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 10 LEU A 222
ALA A 113
GLU A 116
ARG A 234
LEU A 187
 LEU  A 222 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 116 ( 0.5A)
ARG  A 234 ( 0.6A)
LEU  A 187 ( 0.5A)
 1.25A 2ocfA-3wd7A:
undetectable		 2ocfA-3wd7A:
23.29
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.
2OIQ_A_STIA1001_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 1vho ENDOGLUCANASE
(Thermotoga
maritima) 		4 / 5 LEU A 327
VAL A 313
LEU A 240
ARG A 279
 LEU  A 327 ( 0.5A)
VAL  A 313 ( 0.6A)
LEU  A 240 ( 0.6A)
ARG  A 279 ( 0.6A)
 1.10A 2oiqA-1vhoA:
undetectable		 2oiqA-1vhoA:
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.
2OKC_B_SAMB500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE
(Thymus
vulgaris) 		5 / 12 ALA A 543
ASN A 541
VAL A 206
ASN A 480
ARG A 564
 ALA  A 543 ( 0.0A)
ASN  A 541 (-0.6A)
VAL  A 206 ( 0.6A)
ASN  A 480 ( 0.6A)
ARG  A 564 ( 0.6A)
 1.12A 2okcB-5c05A:
undetectable		 2okcB-5c05A:
22.43
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.
2OPX_A_DXCA1002_0
(ALDEHYDE
DEHYDROGENASE A)		 3gle PILIN
(Streptococcus
pyogenes) 		3 / 3 GLY A 186
ARG A 188
TYR A 266
 GLY  A 186 ( 0.0A)
ARG  A 188 ( 0.6A)
TYR  A 266 ( 1.3A)
 0.69A 2opxA-3gleA:
undetectable		 2opxA-3gleA:
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.
2OPX_A_DXCA1002_0
(ALDEHYDE
DEHYDROGENASE A)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		3 / 3 GLY A 167
ARG A  39
TYR A 110
 GLY  A 167 ( 0.0A)
ARG  A  39 ( 0.6A)
TYR  A 110 ( 1.3A)
 0.75A 2opxA-5w0aA:
undetectable		 2opxA-5w0aA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2OTV_A_NCAA1301_0
(CATIONIC TRYPSIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 6 ASP A 189
SER A 190
SER A 195
VAL A 210
GLY A 213
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.25A 2otvA-1pq5A:
34.0		 2otvA-1pq5A:
44.07
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.
2OXT_D_SAMD300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 12 GLY A 139
GLY A  43
GLY A 196
GLY A 193
THR A  53
LEU A  52
 None
None
None
ARG  A 703 (-3.6A)
None
None
 1.44A 2oxtD-1pq5A:
undetectable		 2oxtD-1pq5A:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2P16_A_GG2A298_1
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		7 / 12 ASP A 189
SER A 195
VAL A 210
TRP A 212
GLY A 213
GLY A 223
TYR A 225
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
None
 0.31A 2p16A-1pq5A:
32.8		 2p16A-1pq5A:
34.60
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.
2P16_A_GG2A298_2
(COAGULATION FACTOR X
(EC 3.4.21.6)
(STUART FACTOR)
(STUART-PROWER
FACTOR))		 5l5n PLEXIN-A4
(Mus
musculus) 		3 / 3 ARG A 365
GLU A 416
GLN A 361
 ARG  A 365 ( 0.6A)
GLU  A 416 ( 0.5A)
GLN  A 361 ( 0.6A)
 0.82A 2p16A-5l5nA:
undetectable		 2p16A-5l5nA:
11.17
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.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		5 / 12 HIS A 189
PHE A 250
ILE A 186
SER A 265
ASP A 191
 FE  A 401 (-3.3A)
None
ARG  A 403 (-4.7A)
None
FE  A 401 (-2.4A)
 1.41A 2pgfA-5lunA:
undetectable		 2pgfA-5lunA:
20.84
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.
2PO5_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5ve2 ENOYL-COA HYDRATASE
(Pseudoalteromona
s
atlantica) 		4 / 8 ARG A 161
LEU A 163
VAL A 148
GLY A 149
 ARG  A 161 ( 0.6A)
LEU  A 163 ( 0.5A)
VAL  A 148 ( 0.6A)
GLY  A 149 ( 0.0A)
 0.90A 2po5A-5ve2A:
undetectable		 2po5A-5ve2A:
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 ARG A 257
ASN A 328
THR A 264
 ARG  A 257 ( 0.6A)
ASN  A 328 ( 0.6A)
THR  A 264 ( 0.8A)
 0.85A 2q63A-1wqaA:
undetectable		 2q63A-1wqaA:
13.15
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.
2Q64_B_1UNB1001_2
(PROTEASE RETROPEPSIN)		 1ixl HYPOTHETICAL PROTEIN
PH1136
(Pyrococcus
horikoshii) 		3 / 3 ARG A 109
THR A  78
VAL A 114
 ARG  A 109 ( 0.6A)
THR  A  78 ( 0.8A)
VAL  A 114 ( 0.6A)
 0.89A 2q64A-1ixlA:
0.0		 2q64A-1ixlA:
24.81
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.
2Q64_B_1UNB1001_2
(PROTEASE RETROPEPSIN)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		3 / 3 ARG A 455
THR A  59
VAL A  90
 ARG  A 455 ( 0.6A)
THR  A  59 ( 0.8A)
VAL  A  90 ( 0.6A)
 0.91A 2q64A-4kqnA:
undetectable		 2q64A-4kqnA:
11.28
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.
2Q72_A_IXXA802_1
(TRANSPORTER)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		4 / 6 ILE A 291
ARG A 296
ILE A 309
PHE A 201
 ILE  A 291 ( 0.7A)
ARG  A 296 ( 0.6A)
ILE  A 309 ( 0.7A)
PHE  A 201 ( 1.3A)
 1.14A 2q72A-3r6yA:
undetectable		 2q72A-3r6yA:
21.97
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.
2QD3_B_CHDB504_0
(FERROCHELATASE)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 6 ILE A  62
ARG A  64
SER A 319
MET A 290
 ILE  A  62 ( 0.6A)
ARG  A  64 (-0.6A)
SER  A 319 ( 0.0A)
MET  A 290 ( 0.0A)
 1.12A 2qd3B-4yzrA:
undetectable		 2qd3B-4yzrA:
23.29
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.
2QE6_A_SAMA400_1
(UNCHARACTERIZED
PROTEIN TFU_2867)		 4bhl ARGININE KINASE
(Litopenaeus
vannamei) 		3 / 3 ASN A 274
ARG A 330
ASP A 324
 ARG  A 400 ( 4.5A)
None
None
 0.93A 2qe6A-4bhlA:
undetectable		 2qe6A-4bhlA:
20.53
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.
2QEI_A_CXXA802_1
(TRANSPORTER)		 2qv2 INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1
(Homo
sapiens) 		4 / 6 ARG A 274
PHE A 277
ILE A 244
PHE A 331
 ARG  A 274 ( 0.6A)
PHE  A 277 ( 1.3A)
ILE  A 244 ( 0.7A)
PHE  A 331 ( 1.3A)
 1.28A 2qeiA-2qv2A:
undetectable		 2qeiA-2qv2A:
20.61
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.
2QEU_B_ACTB141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		3 / 3 PRO A 403
ASN A 401
ARG A 459
 PRO  A 403 (-1.1A)
ASN  A 401 ( 0.6A)
ARG  A 459 ( 0.6A)
 1.05A 2qeuB-3gnrA:
1.8		 2qeuB-3gnrA:
13.29
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.
2QEU_B_ACTB141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		 4cgu PROTEIN INTERACTING
WITH HSP90 1
(Saccharomyces
cerevisiae) 		3 / 3 PRO B 265
ASN B 287
ARG B 338
 PRO  B 265 ( 1.1A)
ASN  B 287 ( 0.6A)
ARG  B 338 ( 0.6A)
 1.01A 2qeuB-4cguB:
undetectable		 2qeuB-4cguB:
20.12
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.
2QHF_A_ACTA507_0
(CHORISMATE SYNTHASE)		 5nqf APICAL MEMBRANE
ANTIGEN 1
(Plasmodium
falciparum) 		3 / 3 LEU A 216
ASN A 210
ARG A 199
 LEU  A 216 ( 0.6A)
ASN  A 210 ( 0.6A)
ARG  A 199 ( 0.6A)
 0.87A 2qhfA-5nqfA:
undetectable		 2qhfA-5nqfA:
22.12
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.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)		 5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE
(Thymus
vulgaris) 		5 / 11 ARG A 564
ILE A 481
ILE A 488
ALA A 559
VAL A 556
 ARG  A 564 ( 0.6A)
ILE  A 481 ( 0.7A)
ILE  A 488 ( 0.7A)
ALA  A 559 ( 0.0A)
VAL  A 556 ( 0.6A)
 1.18A 2qhfA-5c05A:
undetectable		 2qhfA-5c05A:
22.75
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.
2RLF_A_RIMA199_1
(MATRIX PROTEIN 2)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		4 / 6 LEU A 491
LEU A 494
ILE A 571
ARG A 602
 LEU  A 491 ( 0.6A)
LEU  A 494 ( 0.6A)
ILE  A 571 ( 0.7A)
ARG  A 602 ( 0.6A)
 0.94A 2rlfA-4mtpA:
undetectable
2rlfB-4mtpA:
undetectable		 2rlfA-4mtpA:
4.94
2rlfB-4mtpA:
4.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VIN_A_505A1247_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR CHAIN B)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 8 ASP A 189
SER A 190
SER A 195
VAL A 210
GLY A 213
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.30A 2vinA-1pq5A:
13.7		 2vinA-1pq5A:
33.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2W26_A_RIVA1001_1
(ACTIVATED FACTOR XA
HEAVY CHAIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		8 / 12 ASP A 189
SER A 195
VAL A 210
TRP A 212
GLY A 213
GLY A 215
GLY A 223
TYR A 225
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-4.3A)
ARG  A 703 (-2.6A)
None
 0.38A 2w26A-1pq5A:
15.3		 2w26A-1pq5A:
34.60
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.
2W3B_B_FOLB401_1
(DIHYDROFOLATE
REDUCTASE)		 5wo6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6
(Rattus
norvegicus) 		3 / 3 GLU A 249
GLN A 305
ARG A 304
 GLU  A 249 ( 0.6A)
GLN  A 305 ( 0.6A)
ARG  A 304 ( 0.6A)
 0.79A 2w3bB-5wo6A:
undetectable		 2w3bB-5wo6A:
13.83
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.
2WSC_B_PQNB1773_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens) 		5 / 10 PHE A 106
ARG B  36
ALA B  33
LEU B  37
ALA B  38
 PHE  A 106 ( 1.3A)
ARG  B  36 ( 0.6A)
ALA  B  33 ( 0.0A)
LEU  B  37 ( 0.6A)
ALA  B  38 ( 0.0A)
 1.30A 2wscB-6c0wA:
undetectable		 2wscB-6c0wA:
7.77
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.
2WSE_B_PQNB1774_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens) 		5 / 10 PHE A 106
ARG B  36
ALA B  33
LEU B  37
ALA B  38
 PHE  A 106 ( 1.3A)
ARG  B  36 ( 0.6A)
ALA  B  33 ( 0.0A)
LEU  B  37 ( 0.6A)
ALA  B  38 ( 0.0A)
 1.31A 2wseB-6c0wA:
undetectable		 2wseB-6c0wA:
7.77
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.
2WSF_B_PQNB1773_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens) 		5 / 9 PHE A 106
ARG B  36
ALA B  33
LEU B  37
ALA B  38
 PHE  A 106 ( 1.3A)
ARG  B  36 ( 0.6A)
ALA  B  33 ( 0.0A)
LEU  B  37 ( 0.6A)
ALA  B  38 ( 0.0A)
 1.32A 2wsfB-6c0wA:
undetectable		 2wsfB-6c0wA:
7.77
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.
2X0Y_A_X0TA1625_1
(O-GLCNACASE NAGJ)		 5gzs GGDEF FAMILY PROTEIN
(Vibrio
cholerae) 		5 / 12 TYR A 148
ASP A 184
VAL A 183
TYR A 127
ASN A 203
 ARG  A 501 (-4.1A)
ARG  A 501 ( 4.9A)
None
None
None
 1.43A 2x0yA-5gzsA:
undetectable		 2x0yA-5gzsA:
22.12
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.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 11 HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.61A 2x8zA-4j3bA:
7.9		 2x8zA-4j3bA:
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.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 11 HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.62A 2x8zA-4xmvA:
8.5		 2x8zA-4xmvA:
22.01
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.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.63A 2x91A-4j3bA:
7.5		 2x91A-4j3bA:
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.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 12 HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.65A 2x91A-4xmvA:
4.5		 2x91A-4xmvA:
22.01
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 5ve2 ENOYL-COA HYDRATASE
(Pseudoalteromona
s
atlantica) 		3 / 3 ARG A 161
GLY A 160
SER A 140
 ARG  A 161 ( 0.6A)
GLY  A 160 ( 0.0A)
SER  A 140 ( 0.0A)
 0.60A 2xctB-5ve2A:
undetectable		 2xctB-5ve2A:
18.18
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE
(Corynebacterium
glutamicum) 		3 / 3 ARG A 197
GLU A 200
SER A  44
 ARG  A 197 ( 0.6A)
GLU  A 200 ( 0.6A)
SER  A  44 ( 0.0A)
 0.73A 2xctD-3r64A:
undetectable		 2xctD-3r64A:
21.85
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 4 ARG A 223
GLY A 222
GLU A 219
SER A 233
 ARG  A 223 ( 0.6A)
GLY  A 222 ( 0.0A)
GLU  A 219 ( 0.6A)
SER  A 233 ( 0.0A)
 1.41A 2xctS-4kqnA:
undetectable
2xctU-4kqnA:
undetectable		 2xctS-4kqnA:
20.86
2xctU-4kqnA:
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.
2XFS_B_J01B600_1
(ORF12)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 11 ALA A 209
TYR A  93
ALA A  54
GLY A 196
SER A 195
 None
None
None
None
ARG  A 703 (-2.3A)
 1.02A 2xfsB-1pq5A:
undetectable		 2xfsB-1pq5A:
20.61
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.
2XNR_A_ACTA1001_0
(NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
3)		 5wm9 RV0078
(Mycobacterium
tuberculosis) 		3 / 3 SER A  12
ARG A  11
GLN A   8
 SER  A  12 ( 0.0A)
ARG  A  11 (-0.6A)
GLN  A   8 ( 0.6A)
 0.98A 2xnrA-5wm9A:
undetectable		 2xnrA-5wm9A:
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.
2XRZ_A_ACTA1467_0
(DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		4 / 5 ARG A 237
ASP A 261
ILE A 279
GLU A 236
 ARG  A 237 ( 0.6A)
ASP  A 261 ( 0.6A)
ILE  A 279 ( 0.7A)
GLU  A 236 ( 0.6A)
 1.40A 2xrzA-1fxjA:
0.4
2xrzB-1fxjA:
0.3		 2xrzA-1fxjA:
20.79
2xrzB-1fxjA:
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.
2XYT_D_TC9D1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		4 / 8 THR A 574
TYR A 575
ARG A 568
ILE A 571
 THR  A 574 ( 0.8A)
TYR  A 575 ( 1.3A)
ARG  A 568 ( 0.6A)
ILE  A 571 ( 0.7A)
 1.07A 2xytE-4mtpA:
undetectable		 2xytE-4mtpA:
15.20
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.
2XYT_G_TC9G1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		4 / 8 THR A 574
TYR A 575
ARG A 568
ILE A 571
 THR  A 574 ( 0.8A)
TYR  A 575 ( 1.3A)
ARG  A 568 ( 0.6A)
ILE  A 571 ( 0.7A)
 1.06A 2xytH-4mtpA:
undetectable		 2xytH-4mtpA:
15.20
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.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 6ao8 ARGININE--TRNA
LIGASE
(Neisseria
gonorrhoeae) 		5 / 12 VAL A 336
SER A 136
SER A 135
ASN A 157
TYR A 312
 ARG  A 601 ( 4.8A)
None
None
None
ARG  A 601 (-4.4A)
 1.34A 2y03A-6ao8A:
2.2		 2y03A-6ao8A:
19.35
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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		 6ao8 ARGININE--TRNA
LIGASE
(Neisseria
gonorrhoeae) 		5 / 12 VAL A 336
SER A 136
SER A 135
ASN A 157
TYR A 312
 ARG  A 601 ( 4.8A)
None
None
None
ARG  A 601 (-4.4A)
 1.37A 2y03B-6ao8A:
undetectable		 2y03B-6ao8A:
19.35
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.
2Y7K_B_SALB1305_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 5 SER A 213
ARG A 216
GLY A 221
TRP A 225
 SER  A 213 ( 0.0A)
ARG  A 216 ( 0.6A)
GLY  A 221 ( 0.0A)
TRP  A 225 ( 0.5A)
 1.47A 2y7kB-2hk0A:
undetectable		 2y7kB-2hk0A:
19.81
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.
2Y7P_A_SALA1001_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		4 / 6 SER A 213
ARG A 216
GLY A 221
TRP A 225
 SER  A 213 ( 0.0A)
ARG  A 216 ( 0.6A)
GLY  A 221 ( 0.0A)
TRP  A 225 ( 0.5A)
 1.47A 2y7pA-2hk0A:
undetectable		 2y7pA-2hk0A:
19.81
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.
2YGN_A_PCFA1179_1
(WNT INHIBITORY
FACTOR 1)		 6b0k IOTA-CARRAGEENAN
SULFATASE
(Pseudoalteromona
s) 		4 / 5 ILE A 372
PHE A  68
VAL A 268
PHE A 348
 ARG  A 507 (-3.6A)
None
None
None
 1.08A 2ygnA-6b0kA:
undetectable		 2ygnA-6b0kA:
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.
2ZGW_A_ADNA1301_1
(BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3sag EXOSOME COMPONENT 10
(Homo
sapiens) 		4 / 7 ARG A 452
ALA A 270
PRO A 267
ALA A 268
 ARG  A 452 ( 0.6A)
ALA  A 270 ( 0.0A)
PRO  A 267 ( 1.1A)
ALA  A 268 ( 0.0A)
 1.07A 2zgwA-3sagA:
undetectable		 2zgwA-3sagA:
19.31
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.
2ZXW_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.96A 2zxwC-4flxA:
2.6
2zxwJ-4flxA:
undetectable		 2zxwC-4flxA:
13.49
2zxwJ-4flxA:
6.62
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.
2ZXW_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 6 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.97A 2zxwP-4flxA:
2.6
2zxwW-4flxA:
undetectable		 2zxwP-4flxA:
13.49
2zxwW-4flxA:
6.62
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.
2ZXW_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		4 / 7 LEU A 379
PHE A 407
ARG A 249
MET A 343
 LEU  A 379 ( 0.6A)
PHE  A 407 ( 1.3A)
ARG  A 249 ( 0.6A)
MET  A 343 ( 0.0A)
 1.01A 2zxwN-3o96A:
undetectable
2zxwW-3o96A:
undetectable		 2zxwN-3o96A:
19.89
2zxwW-3o96A:
9.90
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.
2ZZM_A_SAMA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		3 / 3 ARG A  79
ASP A  62
ASN A 412
 ARG  A  79 ( 0.6A)
ASP  A  62 ( 0.6A)
ASN  A 412 ( 0.6A)
 0.89A 2zzmA-4kqnA:
undetectable		 2zzmA-4kqnA:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_A_C2FA401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		7 / 12 MET A  56
ASP A 101
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 0.28A 3a8iA-1wsvA:
46.8		 3a8iA-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_A_C2FA401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		6 / 12 MET A  56
ASP A 101
TYR A 113
VAL A 115
ASN A 117
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
ARG  A 233 (-0.6A)
 1.11A 3a8iA-1wsvA:
46.8		 3a8iA-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_B_C2FB401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		8 / 12 MET A  56
ASP A 101
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
TRP A 262
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
TRP  A 262 ( 0.5A)
 0.32A 3a8iB-1wsvA:
46.2		 3a8iB-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_B_C2FB401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		6 / 12 MET A  56
ASP A 101
TYR A 113
VAL A 115
ASN A 117
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
ARG  A 233 (-0.6A)
 1.12A 3a8iB-1wsvA:
46.2		 3a8iB-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_C_C2FC401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		7 / 12 MET A  56
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
TRP A 262
 MET  A  56 (-0.0A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
TRP  A 262 ( 0.5A)
 0.44A 3a8iC-1wsvA:
46.4		 3a8iC-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_C_C2FC401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		6 / 12 MET A  56
TYR A 113
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 1.16A 3a8iC-1wsvA:
46.4		 3a8iC-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_D_C2FD401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		8 / 12 MET A  56
ASP A 101
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
TRP A 262
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
TRP  A 262 ( 0.5A)
 0.39A 3a8iD-1wsvA:
46.3		 3a8iD-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_D_C2FD401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		7 / 12 MET A  56
ASP A 101
TYR A 113
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 1.12A 3a8iD-1wsvA:
46.3		 3a8iD-1wsvA:
33.93
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.
3ABK_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 6 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.86A 3abkP-4flxA:
undetectable
3abkW-4flxA:
undetectable		 3abkP-4flxA:
13.49
3abkW-4flxA:
6.62
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.
3AG1_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 11 GLY A 143
THR A  63
ARG A 113
PHE A  58
GLY A  22
 GLY  A 143 ( 0.0A)
THR  A  63 ( 0.8A)
ARG  A 113 ( 0.6A)
PHE  A  58 ( 1.3A)
GLY  A  22 ( 0.0A)
 0.95A 3ag1A-2nvvA:
0.0
3ag1B-2nvvA:
0.0
3ag1T-2nvvA:
0.0		 3ag1A-2nvvA:
22.39
3ag1B-2nvvA:
18.90
3ag1T-2nvvA:
10.94
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.
3AG1_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 6 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.91A 3ag1C-4flxA:
2.5
3ag1J-4flxA:
undetectable		 3ag1C-4flxA:
13.49
3ag1J-4flxA:
6.62
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.
3AG2_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.95A 3ag2C-4flxA:
2.6		 3ag2C-4flxA:
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.
3AG2_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.93A 3ag2P-4flxA:
2.6
3ag2W-4flxA:
undetectable		 3ag2P-4flxA:
13.49
3ag2W-4flxA:
6.62
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.
3AG4_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 8 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.90A 3ag4C-4flxA:
2.6
3ag4J-4flxA:
undetectable		 3ag4C-4flxA:
13.49
3ag4J-4flxA:
6.62
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.
3AG4_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.89A 3ag4P-4flxA:
2.6
3ag4W-4flxA:
undetectable		 3ag4P-4flxA:
13.49
3ag4W-4flxA:
6.62
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.
3AG4_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3o96 RAC-ALPHA
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens) 		4 / 7 LEU A 379
PHE A 407
ARG A 249
MET A 343
 LEU  A 379 ( 0.6A)
PHE  A 407 ( 1.3A)
ARG  A 249 ( 0.6A)
MET  A 343 ( 0.0A)
 1.04A 3ag4N-3o96A:
1.0
3ag4W-3o96A:
undetectable		 3ag4N-3o96A:
19.89
3ag4W-3o96A:
9.90
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.
3AIA_B_SAMB206_0
(UPF0217 PROTEIN
MJ1640)		 4xfj ARGININOSUCCINATE
SYNTHASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 5 SER A 268
LEU A 263
GLY A 122
GLU A 260
 None
None
None
ARG  A 503 (-3.1A)
 0.89A 3aiaA-4xfjA:
undetectable
3aiaB-4xfjA:
undetectable		 3aiaA-4xfjA:
20.36
3aiaB-4xfjA:
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.
3APV_A_TP0A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		5 / 12 PHE A 301
LEU A 223
GLU A 305
ARG A 149
TYR A 286
 PHE  A 301 ( 1.3A)
LEU  A 223 ( 0.5A)
GLU  A 305 ( 0.6A)
ARG  A 149 ( 0.6A)
TYR  A 286 ( 1.3A)
 1.44A 3apvA-3gnrA:
undetectable		 3apvA-3gnrA:
16.87
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		5 / 12 PHE A 301
LEU A 223
GLU A 305
ARG A 149
TYR A 286
 PHE  A 301 ( 1.3A)
LEU  A 223 ( 0.5A)
GLU  A 305 ( 0.6A)
ARG  A 149 ( 0.6A)
TYR  A 286 ( 1.3A)
 1.36A 3apvB-3gnrA:
undetectable		 3apvB-3gnrA:
16.87
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.
3APV_B_TP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3h8m EPHRIN TYPE-A
RECEPTOR 7
(Homo
sapiens) 		5 / 12 PHE A 944
TYR A 949
VAL A 928
LEU A 989
ARG A 957
 PHE  A 944 ( 1.4A)
TYR  A 949 ( 1.3A)
VAL  A 928 ( 0.6A)
LEU  A 989 ( 0.5A)
ARG  A 957 ( 0.6A)
 1.49A 3apvB-3h8mA:
undetectable		 3apvB-3h8mA:
17.35
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.
3APW_B_DP0B190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		5 / 12 PHE A 301
LEU A 223
GLU A 305
ARG A 149
TYR A 286
 PHE  A 301 ( 1.3A)
LEU  A 223 ( 0.5A)
GLU  A 305 ( 0.6A)
ARG  A 149 ( 0.6A)
TYR  A 286 ( 1.3A)
 1.43A 3apwB-3gnrA:
undetectable		 3apwB-3gnrA:
16.87
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.
3AQI_A_CHDA2_0
(FERROCHELATASE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 6 MET A  57
ARG A  90
PRO A  32
GLY A  64
 VAL  A  77 ( 3.9A)
ARG  A  90 ( 0.6A)
PRO  A  32 ( 1.1A)
GLY  A  64 ( 0.0A)
 1.34A 3aqiA-2nvvA:
undetectable		 3aqiA-2nvvA:
19.92
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		 1ng0 COAT PROTEIN
(Cocksfoot
mottle
virus) 		3 / 3 PRO A  92
LEU A  95
ARG A  97
 PRO  A  92 ( 1.1A)
LEU  A  95 ( 0.6A)
ARG  A  97 ( 0.6A)
 0.92A 3aqiA-1ng0A:
undetectable		 3aqiA-1ng0A:
19.95
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 PRO A  20
LEU A  57
ARG A  48
 PRO  A  20 ( 1.1A)
LEU  A  57 ( 0.6A)
ARG  A  48 ( 0.6A)
 0.91A 3aqiA-1wqaA:
2.7		 3aqiA-1wqaA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARQ_A_DM5A606_1
(CHITINASE A)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		6 / 6 TRP A 268
LYS A 362
ASP A 384
TRP A 389
TYR A 411
ARG A 439
 TRP  A 268 ( 0.5A)
LYS  A 362 ( 0.0A)
ASP  A 384 ( 0.5A)
TRP  A 389 (-0.5A)
TYR  A 411 ( 1.3A)
ARG  A 439 ( 0.6A)
 0.55A 3arqA-5gprA:
55.3		 3arqA-5gprA:
50.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARR_A_PNXA606_1
(CHITINASE A)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		7 / 7 TRP A 268
GLY A 359
LYS A 362
ASP A 384
TRP A 389
TYR A 411
ARG A 439
 TRP  A 268 ( 0.5A)
GLY  A 359 ( 0.0A)
LYS  A 362 ( 0.0A)
ASP  A 384 ( 0.5A)
TRP  A 389 (-0.5A)
TYR  A 411 ( 1.3A)
ARG  A 439 ( 0.6A)
 0.46A 3arrA-5gprA:
56.4		 3arrA-5gprA:
50.34
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.
3ARU_A_PNXA606_1
(CHITINASE A)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		4 / 7 PHE A 232
GLY A 236
ASP A 287
ARG A 264
 PHE  A 232 ( 1.3A)
GLY  A 236 ( 0.0A)
ASP  A 287 ( 0.5A)
ARG  A 264 ( 0.6A)
 1.02A 3aruA-1rrvA:
undetectable		 3aruA-1rrvA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ARU_A_PNXA606_1
(CHITINASE A)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		7 / 7 PHE A 309
GLY A 359
LYS A 362
ASP A 384
TRP A 389
TYR A 411
ARG A 439
 PHE  A 309 ( 1.3A)
GLY  A 359 ( 0.0A)
LYS  A 362 ( 0.0A)
ASP  A 384 ( 0.5A)
TRP  A 389 (-0.5A)
TYR  A 411 ( 1.3A)
ARG  A 439 ( 0.6A)
 0.46A 3aruA-5gprA:
56.0		 3aruA-5gprA:
50.17
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.
3ASN_C_CHDC271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.92A 3asnC-4flxA:
2.6
3asnJ-4flxA:
undetectable		 3asnC-4flxA:
13.49
3asnJ-4flxA:
6.62
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.
3ASN_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.91A 3asnP-4flxA:
2.4
3asnW-4flxA:
undetectable		 3asnP-4flxA:
13.49
3asnW-4flxA:
6.62
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.
3ASO_P_CHDP1271_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.91A 3asoP-4flxA:
2.6
3asoW-4flxA:
undetectable		 3asoP-4flxA:
13.49
3asoW-4flxA:
6.62
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.
3AX9_B_SALB1340_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		4 / 8 GLU A 156
ARG A 148
ALA A 132
ALA A 133
 GLU  A 156 ( 0.6A)
ARG  A 148 ( 0.6A)
ALA  A 132 ( 0.0A)
ALA  A 133 ( 0.0A)
 1.03A 3ax9B-2vbfA:
undetectable		 3ax9B-2vbfA:
18.19
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.
3B0W_B_DGXB1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		3 / 3 LEU C 192
VAL C  91
ARG C 100
 LEU  C 192 ( 0.6A)
VAL  C  91 ( 0.6A)
ARG  C 100 ( 0.6A)
 0.83A 3b0wB-5lmxC:
undetectable		 3b0wB-5lmxC:
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.
3B3N_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3b3nA-5bs1A:
undetectable
3b3nB-5bs1A:
undetectable		 3b3nA-5bs1A:
14.45
3b3nB-5bs1A:
14.45
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.
3B3O_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3b3oA-5bs1A:
undetectable
3b3oB-5bs1A:
undetectable		 3b3oA-5bs1A:
14.45
3b3oB-5bs1A:
14.45
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.
3B3P_B_H4BB760_1
(NITRIC-OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 8 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3b3pA-5bs1A:
undetectable
3b3pB-5bs1A:
undetectable		 3b3pA-5bs1A:
14.45
3b3pB-5bs1A:
14.45
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.
3B6R_B_CRNB603_1
(CREATINE KINASE
B-TYPE)		 4rf7 ARGININE KINASE
(Anthopleura
japonica) 		4 / 6 VAL A  69
GLU A 229
CYH A 275
SER A 277
 ARG  A 805 (-3.6A)
ARG  A 805 (-2.9A)
ARG  A 805 (-3.4A)
ARG  A 805 ( 3.7A)
 0.46A 3b6rB-4rf7A:
29.7		 3b6rB-4rf7A:
24.49
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.
3BJW_B_SVRB512_1
(PHOSPHOLIPASE A2)		 6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB
(Yersinia
pseudotuberculos
is) 		4 / 5 VAL A 166
THR A 179
THR A 306
ARG A 307
 VAL  A 166 ( 0.6A)
THR  A 179 ( 0.8A)
THR  A 306 ( 0.8A)
ARG  A 307 ( 0.6A)
 1.11A 3bjwA-6gefA:
undetectable		 3bjwA-6gefA:
18.35
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.
3BJW_F_SVRF509_1
(PHOSPHOLIPASE A2)		 6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB
(Yersinia
pseudotuberculos
is) 		4 / 5 VAL A 166
THR A 179
THR A 306
ARG A 307
 VAL  A 166 ( 0.6A)
THR  A 179 ( 0.8A)
THR  A 306 ( 0.8A)
ARG  A 307 ( 0.6A)
 1.11A 3bjwC-6gefA:
undetectable		 3bjwC-6gefA:
18.35
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.
3BJW_F_SVRF509_2
(PHOSPHOLIPASE A2)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		4 / 8 TYR A1077
ASN A1073
PRO A 459
PHE A 457
 None
None
ARG  A1101 (-3.9A)
None
 1.21A 3bjwD-4j3bA:
undetectable		 3bjwD-4j3bA:
9.45
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.
3CB8_A_SAMA501_0
(PYRUVATE
FORMATE-LYASE
1-ACTIVATING ENZYME)		 1ng0 COAT PROTEIN
(Cocksfoot
mottle
virus) 		5 / 12 TYR A 213
ASN A 206
GLU A 203
ARG A 217
VAL A 214
 TYR  A 213 ( 1.3A)
ASN  A 206 ( 0.6A)
GLU  A 203 ( 0.5A)
ARG  A 217 ( 0.6A)
VAL  A 214 ( 0.6A)
 1.13A 3cb8A-1ng0A:
undetectable		 3cb8A-1ng0A:
20.98
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.
3CL9_A_MTXA602_2
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		4 / 4 VAL A 160
ARG A  11
ILE A  17
THR A 135
 VAL  A 160 ( 0.6A)
ARG  A  11 ( 0.6A)
ILE  A  17 ( 0.7A)
THR  A 135 ( 0.8A)
 1.29A 3cl9A-2vbfA:
undetectable		 3cl9A-2vbfA:
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.
3EL9_A_DR7A100_1
(PROTEASE)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		4 / 8 ALA A  76
GLY A 235
ILE A 234
THR A 265
 None
None
ARG  A 501 (-3.7A)
None
 0.67A 3el9A-6f34A:
undetectable		 3el9A-6f34A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 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_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 5gzs GGDEF FAMILY PROTEIN
(Vibrio
cholerae) 		5 / 12 ALA A 185
GLU A 122
LEU A  89
TYR A 164
THR A 124
 ARG  A 501 ( 3.9A)
ARG  A 501 (-2.7A)
None
None
None
 1.12A 3fl9B-5gzsA:
undetectable		 3fl9B-5gzsA:
17.90
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.
3FXR_A_ASCA3001_0
(LYSR TYPE REGULATOR
OF TSAMBCD)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		4 / 8 ARG A 168
ALA A  42
ILE A  45
PRO A 178
 ARG  A 168 ( 0.6A)
ALA  A  42 ( 0.0A)
ILE  A  45 ( 0.7A)
PRO  A 178 ( 1.1A)
 1.03A 3fxrA-5ep8A:
undetectable		 3fxrA-5ep8A:
22.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		8 / 11 HIS A  56
ASP A 189
SER A 190
GLN A 192
SER A 195
TRP A 212
GLY A 213
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-3.1A)
ARG  A 703 (-2.3A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.36A 3gy3A-1pq5A:
34.3		 3gy3A-1pq5A:
44.07
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.
3HCN_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 7 MET A 234
LEU A 216
ARG A 103
GLY A 354
 MET  A 234 ( 0.0A)
LEU  A 216 ( 0.6A)
ARG  A 103 (-0.6A)
GLY  A 354 (-0.0A)
 1.02A 3hcnA-4yzrA:
undetectable		 3hcnA-4yzrA:
23.29
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.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2m3a PROTEIN KNL-2
(Caenorhabditis
elegans) 		3 / 3 LEU A  43
LEU A  20
ARG A  61
 LEU  A  43 ( 0.6A)
LEU  A  20 ( 0.6A)
ARG  A  61 ( 0.6A)
 0.70A 3hcnB-2m3aA:
undetectable		 3hcnB-2m3aA:
12.95
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.
3HCO_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		4 / 4 LEU A 125
PRO A 126
LEU A 129
ARG A 134
 LEU  A 125 ( 0.6A)
PRO  A 126 ( 1.1A)
LEU  A 129 ( 0.6A)
ARG  A 134 ( 0.6A)
 1.18A 3hcoB-3r9rA:
undetectable		 3hcoB-3r9rA:
21.58
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.
3HCO_B_CHDB1_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5xlu GAMMA GLUTAMYL
TRANSPEPTIDASE
(Bacillus
licheniformis) 		4 / 4 LEU A 345
PRO A 344
LEU A 348
ARG A 331
 LEU  A 345 ( 0.5A)
PRO  A 344 ( 1.1A)
LEU  A 348 ( 0.5A)
ARG  A 331 ( 0.6A)
 1.39A 3hcoB-5xluA:
undetectable		 3hcoB-5xluA:
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.
3HSN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 3hsnA-5bs1A:
undetectable
3hsnB-5bs1A:
undetectable		 3hsnA-5bs1A:
14.45
3hsnB-5bs1A:
14.45
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.
3HSN_B_H4BB1760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.26A 3hsnA-5bs1A:
undetectable
3hsnB-5bs1A:
undetectable		 3hsnA-5bs1A:
14.45
3hsnB-5bs1A:
14.45
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.
3HSO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 3hsoA-5bs1A:
undetectable
3hsoB-5bs1A:
undetectable		 3hsoA-5bs1A:
14.45
3hsoB-5bs1A:
14.45
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.
3I9J_B_NCAB302_0
(ADP-RIBOSYL CYCLASE)		 5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3
(Oryzias
latipes) 		4 / 6 LEU B 276
GLU B 219
SER B 301
PHE B 274
 ARG  B 951 (-4.5A)
None
None
None
 1.25A 3i9jB-5x2oB:
2.2		 3i9jB-5x2oB:
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.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)		 2ywy NEW ANTIGEN RECEPTOR
VARIABLE DOMAIN
(Orectolobus
maculatus) 		4 / 4 ILE A  51
ARG A  74
ILE A  49
THR A  58
 ILE  A  51 ( 0.6A)
ARG  A  74 ( 0.6A)
ILE  A  49 ( 0.7A)
THR  A  58 ( 0.8A)
 1.18A 3ia4C-2ywyA:
undetectable		 3ia4C-2ywyA:
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.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)		 4non FERROUS IRON UPTAKE
TRANSPORTER PROTEIN
B
(Streptococcus
thermophilus) 		4 / 4 ILE A 201
ARG A 175
ILE A 180
THR A  99
 ILE  A 201 ( 0.7A)
ARG  A 175 ( 0.6A)
ILE  A 180 ( 0.6A)
THR  A  99 ( 0.8A)
 1.01A 3ia4C-4nonA:
2.1		 3ia4C-4nonA:
25.78
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.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)		 5wo6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6
(Rattus
norvegicus) 		4 / 4 ILE A 295
ARG A 262
ILE A 306
THR A 297
 ILE  A 295 ( 0.7A)
ARG  A 262 ( 0.6A)
ILE  A 306 ( 0.7A)
THR  A 297 ( 0.8A)
 1.16A 3ia4C-5wo6A:
undetectable		 3ia4C-5wo6A:
13.43
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.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		4 / 4 GLY A 213
VAL A 224
GLY A 170
THR A 171
 ARG  A 703 ( 3.7A)
None
None
None
 0.81A 3ib2A-1pq5A:
undetectable		 3ib2A-1pq5A:
22.29
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.
3IJD_B_C2FB314_0
(UNCHARACTERIZED
PROTEIN)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 LEU A 154
GLY A 220
ARG A 394
LEU A  15
ILE A  17
 LEU  A 154 ( 0.6A)
GLY  A 220 ( 0.0A)
ARG  A 394 ( 0.6A)
LEU  A  15 ( 0.6A)
ILE  A  17 ( 0.7A)
 1.14A 3ijdB-2vbfA:
undetectable		 3ijdB-2vbfA:
18.76
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.
3JAY_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		 5wm9 RV0078
(Mycobacterium
tuberculosis) 		3 / 3 ARG A 192
ASP A  91
ASP A 196
 ARG  A 192 ( 0.6A)
ASP  A  91 ( 0.6A)
ASP  A 196 ( 0.6A)
 0.90A 3jayA-5wm9A:
undetectable		 3jayA-5wm9A:
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.
3JT3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3jt3A-5bs1A:
undetectable
3jt3B-5bs1A:
undetectable		 3jt3A-5bs1A:
14.45
3jt3B-5bs1A:
14.45
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.
3JT5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3jt5A-5bs1A:
undetectable
3jt5B-5bs1A:
undetectable		 3jt5A-5bs1A:
14.45
3jt5B-5bs1A:
14.45
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.
3JT8_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3jt8A-5bs1A:
undetectable
3jt8B-5bs1A:
undetectable		 3jt8A-5bs1A:
14.45
3jt8B-5bs1A:
14.45
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.
3JT8_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3jt8A-5bs1A:
undetectable
3jt8B-5bs1A:
undetectable		 3jt8A-5bs1A:
14.45
3jt8B-5bs1A:
14.45
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.
3JWS_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3jwsA-5bs1A:
undetectable
3jwsB-5bs1A:
undetectable		 3jwsA-5bs1A:
14.45
3jwsB-5bs1A:
14.45
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.
3JWS_B_H4BB761_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3jwsA-5bs1A:
undetectable
3jwsB-5bs1A:
undetectable		 3jwsA-5bs1A:
14.45
3jwsB-5bs1A:
14.45
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.
3JWT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3jwtA-5bs1A:
undetectable
3jwtB-5bs1A:
undetectable		 3jwtA-5bs1A:
14.45
3jwtB-5bs1A:
14.45
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.
3JWU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3jwuA-5bs1A:
undetectable
3jwuB-5bs1A:
undetectable		 3jwuA-5bs1A:
14.45
3jwuB-5bs1A:
14.45
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.
3JWU_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3jwuA-5bs1A:
undetectable
3jwuB-5bs1A:
undetectable		 3jwuA-5bs1A:
14.45
3jwuB-5bs1A:
14.45
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.
3JWV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3jwvA-5bs1A:
undetectable
3jwvB-5bs1A:
undetectable		 3jwvA-5bs1A:
14.45
3jwvB-5bs1A:
14.45
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.
3JWV_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3jwvA-5bs1A:
undetectable
3jwvB-5bs1A:
undetectable		 3jwvA-5bs1A:
14.45
3jwvB-5bs1A:
14.45
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.
3JX0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 3jx0A-5bs1A:
undetectable
3jx0B-5bs1A:
undetectable		 3jx0A-5bs1A:
14.45
3jx0B-5bs1A:
14.45
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.
3JX1_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5l5n PLEXIN-A4
(Mus
musculus) 		4 / 8 GLU A 498
SER A 497
ARG A 430
VAL A 480
 GLU  A 498 ( 0.5A)
SER  A 497 ( 0.0A)
ARG  A 430 ( 0.6A)
VAL  A 480 ( 0.6A)
 1.33A 3jx1A-5l5nA:
undetectable
3jx1B-5l5nA:
undetectable		 3jx1A-5l5nA:
16.53
3jx1B-5l5nA:
16.53
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.
3K13_A_THHA642_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		3 / 3 ASN A 154
ASP A 152
ARG A 244
 ASN  A 154 ( 0.6A)
ASP  A 152 ( 0.6A)
ARG  A 244 ( 0.6A)
 0.83A 3k13A-3r9rA:
undetectable		 3k13A-3r9rA:
20.25
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		5 / 12 ALA A 133
LEU A 150
ARG A  11
ILE A  96
LEU A  12
 ALA  A 133 ( 0.0A)
LEU  A 150 ( 0.5A)
ARG  A  11 ( 0.6A)
ILE  A  96 ( 0.6A)
LEU  A  12 ( 0.6A)
 1.11A 3k2hA-2vbfA:
undetectable		 3k2hA-2vbfA:
20.75
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		 5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN
(Vibrio
vulnificus) 		3 / 3 ARG A3933
GLU A3821
TYR A3833
 ARG  A3933 ( 0.6A)
GLU  A3821 ( 0.6A)
TYR  A3833 ( 1.3A)
 0.94A 3k37B-5w6lA:
undetectable		 3k37B-5w6lA:
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.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 3cbt PHOSPHATASE SC4828
(Streptomyces
coelicolor) 		4 / 6 ARG A 110
GLY A 112
GLU A 197
GLU A 113
 ARG  A 110 (-0.6A)
GLY  A 112 ( 0.0A)
GLU  A 197 ( 0.6A)
GLU  A 113 (-0.5A)
 1.12A 3k9fA-3cbtA:
undetectable
3k9fB-3cbtA:
undetectable
3k9fD-3cbtA:
undetectable		 3k9fA-3cbtA:
17.64
3k9fB-3cbtA:
17.64
3k9fD-3cbtA:
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.
3KP2_A_PNNA5001_0
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4oby ARGININE--TRNA
LIGASE
(Escherichia
coli) 		4 / 8 ASN A 239
THR A 242
LEU A 246
HIS A 132
 None
None
None
ARG  A 601 (-4.0A)
 0.86A 3kp2A-4obyA:
undetectable
3kp2B-4obyA:
undetectable		 3kp2A-4obyA:
14.36
3kp2B-4obyA:
14.36
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		3 / 3 ALA A 178
ARG A 182
LYS A 186
 ALA  A 178 ( 0.0A)
ARG  A 182 ( 0.6A)
LYS  A 186 ( 0.0A)
 1.03A 3kp3B-1fxjA:
0.1		 3kp3B-1fxjA:
20.56
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.
3KP5_A_KANA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		5 / 11 VAL A 128
ALA A 118
GLU A  73
ASN A 113
ARG A 169
 VAL  A 128 ( 0.6A)
ALA  A 118 ( 0.0A)
GLU  A  73 ( 0.5A)
ASN  A 113 ( 0.6A)
ARG  A 169 ( 0.6A)
 1.41A 3kp5A-3gnrA:
undetectable		 3kp5A-3gnrA:
16.02
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.
3KP5_B_KANB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE
(Escherichia
coli) 		3 / 3 ALA A 178
ARG A 182
LYS A 186
 ALA  A 178 ( 0.0A)
ARG  A 182 ( 0.6A)
LYS  A 186 ( 0.0A)
 0.57A 3kp5B-1fxjA:
0.0		 3kp5B-1fxjA:
20.56
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.
3KP6_B_SALB3001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		4 / 8 ASN A 220
HIS A 309
ASN A 312
MET A 313
 None
None
None
ARG  A 403 ( 4.6A)
 1.29A 3kp6A-5lunA:
undetectable
3kp6B-5lunA:
0.5		 3kp6A-5lunA:
17.13
3kp6B-5lunA:
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.
3KU9_B_SPMB700_1
(POLYAMINE OXIDASE)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		4 / 7 GLU A  84
TYR A 192
PHE A 314
TYR A 318
 ARG  A 403 (-3.5A)
ARG  A 403 (-4.0A)
ARG  A 403 (-3.9A)
None
 1.20A 3ku9B-5lunA:
undetectable		 3ku9B-5lunA:
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.
3LN1_D_CELD682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 5 ARG C 293
LEU C 280
ILE C 256
PHE C 251
 ARG  C 293 ( 0.6A)
LEU  C 280 ( 0.5A)
ILE  C 256 ( 0.7A)
PHE  C 251 ( 1.3A)
 1.25A 3ln1D-5lmxC:
undetectable		 3ln1D-5lmxC:
23.30
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.
3LOQ_A_ACTA277_0
(UNIVERSAL STRESS
PROTEIN)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		3 / 3 ASP A 239
SER A 290
ARG A 108
 ASP  A 239 ( 0.5A)
SER  A 290 (-0.0A)
ARG  A 108 (-0.6A)
 0.97A 3loqA-1omoA:
4.0		 3loqA-1omoA:
24.64
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.
3LOQ_A_ACTA277_0
(UNIVERSAL STRESS
PROTEIN)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 ASP A 245
SER A 101
ARG A 248
 ASP  A 245 (-0.6A)
SER  A 101 (-0.0A)
ARG  A 248 (-0.6A)
 0.88A 3loqA-1wqaA:
2.5		 3loqA-1wqaA:
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.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens) 		5 / 10 PHE A 106
ARG B  36
ALA B  33
LEU B  37
ALA B  38
 PHE  A 106 ( 1.3A)
ARG  B  36 ( 0.6A)
ALA  B  33 ( 0.0A)
LEU  B  37 ( 0.6A)
ALA  B  38 ( 0.0A)
 1.30A 3lw5B-6c0wA:
undetectable		 3lw5B-6c0wA:
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.
3MJR_A_AC2A301_1
(DEOXYCYTIDINE KINASE)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		5 / 9 ILE A 458
GLU A 472
ARG A 137
ASP A 138
LEU A 455
 ILE  A 458 ( 0.6A)
GLU  A 472 ( 0.6A)
ARG  A 137 ( 0.6A)
ASP  A 138 ( 0.6A)
LEU  A 455 ( 0.6A)
 1.44A 3mjrA-5cdnA:
undetectable		 3mjrA-5cdnA:
19.55
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.
3N2O_D_AG2D1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 4oby ARGININE--TRNA
LIGASE
(Escherichia
coli) 		5 / 10 SER A 135
ARG A 324
ASP A 317
TYR A 335
LEU A 345
 None
ARG  A 601 ( 4.6A)
ARG  A 601 (-2.6A)
ARG  A 601 (-4.8A)
None
 1.38A 3n2oC-4obyA:
4.7
3n2oD-4obyA:
5.3		 3n2oC-4obyA:
23.06
3n2oD-4obyA:
23.06
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.
3N2R_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3n2rA-5bs1A:
undetectable
3n2rB-5bs1A:
undetectable		 3n2rA-5bs1A:
14.45
3n2rB-5bs1A:
14.45
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.
3N5Y_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3n5yA-5bs1A:
undetectable
3n5yB-5bs1A:
undetectable		 3n5yA-5bs1A:
14.45
3n5yB-5bs1A:
14.45
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.
3N5Z_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3n5zA-5bs1A:
undetectable
3n5zB-5bs1A:
undetectable		 3n5zA-5bs1A:
14.45
3n5zB-5bs1A:
14.45
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.
3NLJ_B_H4BB761_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 3nljA-5bs1A:
undetectable
3nljB-5bs1A:
undetectable		 3nljA-5bs1A:
15.01
3nljB-5bs1A:
15.01
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.
3NLK_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3nlkA-5bs1A:
undetectable
3nlkB-5bs1A:
undetectable		 3nlkA-5bs1A:
14.45
3nlkB-5bs1A:
14.45
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.
3NLK_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 3nlkA-5bs1A:
undetectable
3nlkB-5bs1A:
undetectable		 3nlkA-5bs1A:
14.45
3nlkB-5bs1A:
14.45
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.
3NLM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3nlmA-5bs1A:
undetectable
3nlmB-5bs1A:
undetectable		 3nlmA-5bs1A:
14.45
3nlmB-5bs1A:
14.45
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.
3NLN_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 3nlnA-5bs1A:
undetectable
3nlnB-5bs1A:
undetectable		 3nlnA-5bs1A:
14.45
3nlnB-5bs1A:
14.45
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.
3NLV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3nlvA-5bs1A:
undetectable
3nlvB-5bs1A:
undetectable		 3nlvA-5bs1A:
14.45
3nlvB-5bs1A:
14.45
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.
3NLW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3nlwA-5bs1A:
undetectable
3nlwB-5bs1A:
undetectable		 3nlwA-5bs1A:
14.45
3nlwB-5bs1A:
14.45
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.
3NLX_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3nlxA-5bs1A:
undetectable
3nlxB-5bs1A:
undetectable		 3nlxA-5bs1A:
14.45
3nlxB-5bs1A:
14.45
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.
3NLX_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 3nlxA-5bs1A:
undetectable
3nlxB-5bs1A:
undetectable		 3nlxA-5bs1A:
14.45
3nlxB-5bs1A:
14.45
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.
3NLY_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3nlyA-5bs1A:
undetectable
3nlyB-5bs1A:
undetectable		 3nlyA-5bs1A:
14.45
3nlyB-5bs1A:
14.45
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.
3NM0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3nm0A-5bs1A:
undetectable
3nm0B-5bs1A:
undetectable		 3nm0A-5bs1A:
14.45
3nm0B-5bs1A:
14.45
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.
3NM0_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3nm0A-5bs1A:
undetectable
3nm0B-5bs1A:
undetectable		 3nm0A-5bs1A:
14.45
3nm0B-5bs1A:
14.45
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.
3NNY_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 3nnyA-5bs1A:
undetectable
3nnyB-5bs1A:
undetectable		 3nnyA-5bs1A:
14.45
3nnyB-5bs1A:
14.45
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.
3NNY_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3nnyA-5bs1A:
undetectable
3nnyB-5bs1A:
undetectable		 3nnyA-5bs1A:
14.45
3nnyB-5bs1A:
14.45
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.
3NNZ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3nnzA-5bs1A:
undetectable
3nnzB-5bs1A:
undetectable		 3nnzA-5bs1A:
14.45
3nnzB-5bs1A:
14.45
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.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		4 / 6 GLU A 156
ARG A 148
ALA A 132
ALA A 133
 GLU  A 156 ( 0.6A)
ARG  A 148 ( 0.6A)
ALA  A 132 ( 0.0A)
ALA  A 133 ( 0.0A)
 1.09A 3ns1C-2vbfA:
undetectable		 3ns1C-2vbfA:
22.86
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.
3NW2_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE
(Saccharomonospor
a
viridis) 		3 / 3 ARG A 348
ILE A 342
TRP A 364
 ARG  A 348 ( 0.6A)
ILE  A 342 ( 0.7A)
TRP  A 364 ( 0.5A)
 1.08A 3nw2A-4jbeA:
undetectable		 3nw2A-4jbeA:
22.67
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.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		 2dj6 HYPOTHETICAL PROTEIN
PH0634
(Pyrococcus
horikoshii) 		4 / 7 ARG A  87
ILE A  88
LEU A 103
ARG A  66
 ARG  A  87 ( 0.6A)
ILE  A  88 ( 0.7A)
LEU  A 103 ( 0.6A)
ARG  A  66 ( 0.6A)
 0.95A 3nxuA-2dj6A:
undetectable		 3nxuA-2dj6A:
12.24
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.
3NY4_A_SMXA309_1
(BETA-LACTAMASE)		 5gzs GGDEF FAMILY PROTEIN
(Vibrio
cholerae) 		4 / 5 ILE A 142
ARG A 109
THR A 147
GLU A 122
 None
ARG  A 501 (-3.0A)
ARG  A 501 (-4.0A)
ARG  A 501 (-2.7A)
 1.31A 3ny4A-5gzsA:
undetectable		 3ny4A-5gzsA:
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.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 3h7a SHORT CHAIN
DEHYDROGENASE
(Rhodopseudomonas
palustris) 		5 / 12 GLY A  12
GLY A  14
ASP A  62
ARG A  64
VAL A  89
 GLY  A  12 ( 0.0A)
GLY  A  14 ( 0.0A)
ASP  A  62 ( 0.6A)
ARG  A  64 ( 0.6A)
VAL  A  89 ( 0.6A)
 0.98A 3o7wA-3h7aA:
undetectable		 3o7wA-3h7aA:
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.
3OLS_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 12 LEU A 222
ALA A 113
GLU A 116
ARG A 234
LEU A 187
 LEU  A 222 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 116 ( 0.5A)
ARG  A 234 ( 0.6A)
LEU  A 187 ( 0.5A)
 1.17A 3olsB-3wd7A:
undetectable		 3olsB-3wd7A:
20.45
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.
3P73_A_ACTA275_0
(MHC RFP-Y CLASS I
ALPHA CHAIN)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		3 / 3 ILE A 137
VAL A 167
ARG A 171
 ILE  A 137 ( 0.6A)
VAL  A 167 ( 0.6A)
ARG  A 171 ( 0.6A)
 0.76A 3p73A-4dlkA:
1.6		 3p73A-4dlkA:
19.48
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.
3PCQ_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens) 		5 / 11 PHE A 106
ARG B  36
ALA B  33
LEU B  37
ALA B  38
 PHE  A 106 ( 1.3A)
ARG  B  36 ( 0.6A)
ALA  B  33 ( 0.0A)
LEU  B  37 ( 0.6A)
ALA  B  38 ( 0.0A)
 1.32A 3pcqB-6c0wA:
2.3		 3pcqB-6c0wA:
5.81
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.
3PNF_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3pnfA-5bs1A:
undetectable
3pnfB-5bs1A:
undetectable		 3pnfA-5bs1A:
14.45
3pnfB-5bs1A:
14.45
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.
3Q99_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 3q99A-5bs1A:
undetectable
3q99B-5bs1A:
undetectable		 3q99A-5bs1A:
14.45
3q99B-5bs1A:
14.45
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.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4h5g AMINO ACID ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN
(Streptococcus
pneumoniae) 		5 / 11 ILE A 110
ASN A 129
ILE A 131
TYR A 126
THR A  46
 ARG  A 310 (-4.7A)
None
None
None
None
 1.21A 3qg2B-4h5gA:
undetectable		 3qg2B-4h5gA:
16.50
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.
3RQM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3rqmA-5bs1A:
undetectable
3rqmB-5bs1A:
undetectable		 3rqmA-5bs1A:
14.45
3rqmB-5bs1A:
14.45
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.
3RQN_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 3rqnA-5bs1A:
undetectable
3rqnB-5bs1A:
undetectable		 3rqnA-5bs1A:
14.45
3rqnB-5bs1A:
14.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RXF_A_4APA9_1
(CATIONIC TRYPSIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 6 SER A 190
SER A 195
VAL A 210
TRP A 212
GLY A 213
GLY A 223
 ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.38A 3rxfA-1pq5A:
17.6		 3rxfA-1pq5A:
44.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3RXH_A_HSMA7_1
(CATIONIC TRYPSIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 5 ASP A 189
SER A 190
SER A 195
VAL A 210
GLY A 223
 ARG  A 703 (-2.0A)
ARG  A 703 (-2.5A)
ARG  A 703 (-2.3A)
ARG  A 703 (-4.5A)
ARG  A 703 (-2.6A)
 0.37A 3rxhA-1pq5A:
34.2		 3rxhA-1pq5A:
44.07
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		 6gpc -
(-) 		4 / 8 ASP A  94
GLY A  96
TYR A 104
PRO A  91
 None
None
ARG  A 301 (-4.3A)
None
 1.00A 3s3nA-6gpcA:
undetectable		 3s3nA-6gpcA:
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.
3S8P_B_SAMB500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2flq NITRIC OXIDE
SYNTHASE
(Geobacillus
stearothermophil
us) 		3 / 3 HIS A 134
SER A 152
ASN A 253
 None
None
ARG  A 376 (-2.9A)
 0.87A 3s8pB-2flqA:
undetectable		 3s8pB-2flqA:
21.17
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.
3SUD_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN
(Vibrio
vulnificus) 		4 / 5 TYR A3786
LEU A3958
LYS A3959
ARG A3933
 TYR  A3786 ( 1.3A)
LEU  A3958 ( 0.6A)
LYS  A3959 ( 0.0A)
ARG  A3933 ( 0.6A)
 1.36A 3sudD-5w6lA:
undetectable		 3sudD-5w6lA:
19.19
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.
3SUF_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 TYR A 387
LEU A 185
ARG A 343
 TYR  A 387 ( 1.3A)
LEU  A 185 ( 0.6A)
ARG  A 343 ( 0.6A)
 0.78A 3sufB-2nvvA:
undetectable		 3sufB-2nvvA:
17.01
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.
3T3R_B_9PLB501_1
(CYTOCHROME P450 2A6)		 4zv1 ANCQR
(synthetic
construct) 		5 / 9 PHE A  23
PHE A  20
PHE A  94
GLY A  97
PHE A 231
 None
ARG  A 301 (-3.4A)
None
None
None
 1.26A 3t3rB-4zv1A:
undetectable		 3t3rB-4zv1A:
19.41
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		 3tql ARGININE-BINDING
PROTEIN
(Coxiella
burnetii) 		5 / 7 THR A 126
GLY A 229
ASN A 127
TYR A  54
GLY A 106
 None
None
None
None
ARG  A   1 (-4.0A)
 1.42A 3tajA-3tqlA:
8.4		 3tajA-3tqlA:
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.
3TIC_A_ZMRA1002_2
(NEURAMINIDASE)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens) 		4 / 5 LEU A  61
ARG B  35
ARG B  36
ILE B  46
 LEU  A  61 ( 0.6A)
ARG  B  35 ( 0.6A)
ARG  B  36 ( 0.6A)
ILE  B  46 ( 0.7A)
 1.43A 3ticA-6c0wA:
undetectable		 3ticA-6c0wA:
9.89
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.
3TIC_D_ZMRD1002_2
(NEURAMINIDASE)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens) 		4 / 5 LEU A  61
ARG B  35
ARG B  36
ILE B  46
 LEU  A  61 ( 0.6A)
ARG  B  35 ( 0.6A)
ARG  B  36 ( 0.6A)
ILE  B  46 ( 0.7A)
 1.43A 3ticD-6c0wA:
undetectable		 3ticD-6c0wA:
9.89
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.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		 2qvs CAMP-DEPENDENT
PROTEIN KINASE TYPE
II-ALPHA REGULATORY
SUBUNIT
(Mus
musculus) 		5 / 12 GLY B 349
GLY B 300
ARG B 283
SER B 303
GLU B 289
 GLY  B 349 ( 0.0A)
GLY  B 300 ( 0.0A)
ARG  B 283 ( 0.6A)
SER  B 303 ( 0.0A)
GLU  B 289 ( 0.6A)
 1.38A 3tkaA-2qvsB:
undetectable		 3tkaA-2qvsB:
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.
3TWP_A_SALA404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		4 / 7 ASN A  93
ALA A  92
ARG A 154
ALA A 156
 ASN  A  93 ( 0.6A)
ALA  A  92 ( 0.0A)
ARG  A 154 ( 0.6A)
ALA  A 156 ( 0.0A)
 0.91A 3twpA-4c9gA:
undetectable		 3twpA-4c9gA:
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.
3TWP_A_SALA404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		4 / 7 ASN A 249
ALA A 237
ALA A  97
ARG A 101
 ASN  A 249 ( 0.6A)
ALA  A 237 ( 0.0A)
ALA  A  97 ( 0.0A)
ARG  A 101 ( 0.6A)
 0.80A 3twpA-4hneA:
undetectable		 3twpA-4hneA:
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.
3TWP_B_SALB404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		4 / 7 ASN A  93
ALA A  92
ARG A 154
ALA A 156
 ASN  A  93 ( 0.6A)
ALA  A  92 ( 0.0A)
ARG  A 154 ( 0.6A)
ALA  A 156 ( 0.0A)
 0.97A 3twpB-4c9gA:
undetectable		 3twpB-4c9gA:
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.
3TWP_B_SALB404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		4 / 7 ASN A 249
ALA A 237
ALA A  97
ARG A 101
 ASN  A 249 ( 0.6A)
ALA  A 237 ( 0.0A)
ALA  A  97 ( 0.0A)
ARG  A 101 ( 0.6A)
 0.75A 3twpB-4hneA:
undetectable		 3twpB-4hneA:
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.
3TWP_C_SALC404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		4 / 7 ASN A  93
ALA A  92
ARG A 154
ALA A 156
 ASN  A  93 ( 0.6A)
ALA  A  92 ( 0.0A)
ARG  A 154 ( 0.6A)
ALA  A 156 ( 0.0A)
 1.10A 3twpC-4c9gA:
undetectable		 3twpC-4c9gA:
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.
3TWP_C_SALC404_1
(ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		4 / 7 ASN A 249
ALA A 237
ALA A  97
ARG A 101
 ASN  A 249 ( 0.6A)
ALA  A 237 ( 0.0A)
ALA  A  97 ( 0.0A)
ARG  A 101 ( 0.6A)
 0.76A 3twpC-4hneA:
undetectable		 3twpC-4hneA:
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.
3TYL_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3tylA-5bs1A:
undetectable
3tylB-5bs1A:
undetectable		 3tylA-5bs1A:
14.45
3tylB-5bs1A:
14.45
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.
3TYM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3tymA-5bs1A:
undetectable
3tymB-5bs1A:
undetectable		 3tymA-5bs1A:
14.45
3tymB-5bs1A:
14.45
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.
3TYN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3tynA-5bs1A:
undetectable
3tynB-5bs1A:
undetectable		 3tynA-5bs1A:
14.45
3tynB-5bs1A:
14.45
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.
3TYO_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 3tyoA-5bs1A:
undetectable
3tyoB-5bs1A:
undetectable		 3tyoA-5bs1A:
14.45
3tyoB-5bs1A:
14.45
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.
3U40_E_ADNE251_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN
(Vibrio
vulnificus) 		5 / 12 ARG A4001
GLY A3903
VAL A3901
GLU A3900
GLU A3930
 ARG  A4001 ( 0.6A)
GLY  A3903 ( 0.0A)
VAL  A3901 ( 0.6A)
GLU  A3900 ( 0.6A)
GLU  A3930 ( 0.6A)
 1.46A 3u40D-5w6lA:
undetectable
3u40E-5w6lA:
undetectable		 3u40D-5w6lA:
17.41
3u40E-5w6lA:
17.41
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.
3U9F_B_CLMB221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3
(Oryzias
latipes) 		5 / 12 SER B 169
PHE B 170
SER B 150
LEU B 276
VAL B 277
 None
None
ARG  B 951 (-2.8A)
ARG  B 951 (-4.5A)
None
 1.27A 3u9fB-5x2oB:
undetectable
3u9fC-5x2oB:
undetectable		 3u9fB-5x2oB:
15.21
3u9fC-5x2oB:
15.21
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.
3U9F_J_CLMJ221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3
(Oryzias
latipes) 		5 / 12 SER B 169
PHE B 170
SER B 150
LEU B 276
VAL B 277
 None
None
ARG  B 951 (-2.8A)
ARG  B 951 (-4.5A)
None
 1.25A 3u9fJ-5x2oB:
undetectable
3u9fK-5x2oB:
undetectable		 3u9fJ-5x2oB:
15.21
3u9fK-5x2oB:
15.21
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.
3UCB_B_017B202_1
(PROTEASE)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		4 / 7 LYS C 273
ARG C 275
GLY C 268
PRO C 269
 LYS  C 273 ( 0.0A)
ARG  C 275 ( 0.6A)
GLY  C 268 ( 0.0A)
PRO  C 269 ( 1.1A)
 1.32A 3ucbB-3ghgC:
undetectable		 3ucbB-3ghgC:
12.71
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.
3UFN_A_ROCA402_1
(HIV-1 PROTEASE)		 5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE
(Thymus
vulgaris) 		4 / 5 ARG A 490
LEU A 443
PRO A 437
ASP A 494
 ARG  A 490 ( 0.6A)
LEU  A 443 ( 0.6A)
PRO  A 437 ( 1.1A)
ASP  A 494 ( 0.6A)
 1.07A 3ufnA-5c05A:
undetectable
3ufnB-5c05A:
undetectable		 3ufnA-5c05A:
10.81
3ufnB-5c05A:
10.81
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.
3UFO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 3ufoA-5bs1A:
undetectable
3ufoB-5bs1A:
undetectable		 3ufoA-5bs1A:
14.45
3ufoB-5bs1A:
14.45
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.
3UFP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.26A 3ufpA-5bs1A:
undetectable
3ufpB-5bs1A:
undetectable		 3ufpA-5bs1A:
14.45
3ufpB-5bs1A:
14.45
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.
3UFP_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 3ufpA-5bs1A:
undetectable
3ufpB-5bs1A:
undetectable		 3ufpA-5bs1A:
14.45
3ufpB-5bs1A:
14.45
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.
3UFQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3ufqA-5bs1A:
undetectable
3ufqB-5bs1A:
undetectable		 3ufqA-5bs1A:
14.45
3ufqB-5bs1A:
14.45
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.
3UFR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 3ufrA-5bs1A:
undetectable
3ufrB-5bs1A:
undetectable		 3ufrA-5bs1A:
14.45
3ufrB-5bs1A:
14.45
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.
3UFR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 3ufrA-5bs1A:
undetectable
3ufrB-5bs1A:
undetectable		 3ufrA-5bs1A:
14.45
3ufrB-5bs1A:
14.45
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.
3UFS_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3ufsA-5bs1A:
undetectable
3ufsB-5bs1A:
undetectable		 3ufsA-5bs1A:
14.45
3ufsB-5bs1A:
14.45
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.
3UFS_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3ufsA-5bs1A:
undetectable
3ufsB-5bs1A:
undetectable		 3ufsA-5bs1A:
14.45
3ufsB-5bs1A:
14.45
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.
3UFU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3ufuA-5bs1A:
undetectable
3ufuB-5bs1A:
undetectable		 3ufuA-5bs1A:
14.45
3ufuB-5bs1A:
14.45
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.
3UFV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3ufvA-5bs1A:
undetectable
3ufvB-5bs1A:
undetectable		 3ufvA-5bs1A:
14.45
3ufvB-5bs1A:
14.45
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.
3UFW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 3ufwA-5bs1A:
undetectable
3ufwB-5bs1A:
undetectable		 3ufwA-5bs1A:
14.45
3ufwB-5bs1A:
14.45
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.
3UJ6_A_SAMA300_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 12 ILE A 154
ILE A 130
ILE A 137
ARG A 277
LEU A 253
 ILE  A 154 ( 0.7A)
ILE  A 130 ( 0.7A)
ILE  A 137 ( 0.7A)
ARG  A 277 ( 0.6A)
LEU  A 253 ( 0.6A)
 1.03A 3uj6A-5d7aA:
undetectable		 3uj6A-5d7aA:
19.87
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.
3V4T_A_ACTA503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		3 / 3 ARG A 276
GLU A 263
THR A 260
 ARG  A 276 ( 0.6A)
GLU  A 263 ( 0.6A)
THR  A 260 ( 0.8A)
 0.79A 3v4tA-3ulkA:
undetectable		 3v4tA-3ulkA:
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.
3V4T_H_ACTH503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		4 / 7 ALA A 246
ILE A 247
ARG A 381
GLY A 377
 ALA  A 246 ( 0.0A)
ILE  A 247 ( 0.6A)
ARG  A 381 ( 0.6A)
GLY  A 377 ( 0.0A)
 0.96A 3v4tH-5ep8A:
undetectable		 3v4tH-5ep8A:
26.11
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.
3VLN_A_ASCA904_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 6ezy -
(-) 		4 / 6 ARG A  15
PRO A  54
GLU A  65
SER A  66
 ARG  A  15 ( 0.6A)
PRO  A  54 ( 1.1A)
GLU  A  65 ( 0.6A)
SER  A  66 ( 0.0A)
 0.95A 3vlnA-6ezyA:
20.5		 3vlnA-6ezyA:
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.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 3i4k MUCONATE LACTONIZING
ENZYME
(Corynebacterium
glutamicum) 		5 / 10 ALA A 220
ARG A 189
LEU A 217
LEU A 187
ILE A 199
 ALA  A 220 ( 0.0A)
ARG  A 189 ( 0.6A)
LEU  A 217 ( 0.6A)
LEU  A 187 ( 0.6A)
ILE  A 199 ( 0.4A)
 1.19A 3wdmB-3i4kA:
undetectable		 3wdmB-3i4kA:
22.28
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.
3WG7_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 6 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.92A 3wg7C-4flxA:
2.6
3wg7J-4flxA:
undetectable		 3wg7C-4flxA:
13.49
3wg7J-4flxA:
6.62
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.
3WG7_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 6 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.89A 3wg7P-4flxA:
2.4
3wg7W-4flxA:
undetectable		 3wg7P-4flxA:
13.49
3wg7W-4flxA:
6.62
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.
3WIP_C_ACHC301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		4 / 8 TYR A 155
TYR A 151
ARG A 347
MET A 349
 TYR  A 155 ( 1.3A)
TYR  A 151 ( 1.3A)
ARG  A 347 ( 0.6A)
MET  A 349 ( 0.0A)
 1.49A 3wipC-4mwtA:
undetectable
3wipD-4mwtA:
undetectable		 3wipC-4mwtA:
18.71
3wipD-4mwtA:
18.71
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.
3WIP_D_ACHD301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		4 / 8 TYR A 155
TYR A 151
ARG A 347
MET A 349
 TYR  A 155 ( 1.3A)
TYR  A 151 ( 1.3A)
ARG  A 347 ( 0.6A)
MET  A 349 ( 0.0A)
 1.48A 3wipD-4mwtA:
undetectable
3wipE-4mwtA:
undetectable		 3wipD-4mwtA:
18.71
3wipE-4mwtA:
18.71
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.
3WIP_G_ACTG305_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 1gc7 RADIXIN
(Mus
musculus) 		3 / 3 ASP A 266
ARG A 246
LYS A 258
 ASP  A 266 ( 0.6A)
ARG  A 246 ( 0.6A)
LYS  A 258 ( 0.0A)
 0.98A 3wipG-1gc7A:
0.0		 3wipG-1gc7A:
20.41
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.
3WQV_A_GCSA501_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		10 / 11 PHE A 184
GLY A 267
TRP A 268
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
ARG A 439
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
TRP  A 268 ( 0.5A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
ARG  A 439 ( 0.6A)
TRP  A 532 ( 0.5A)
 0.44A 3wqvA-5gprA:
43.0		 3wqvA-5gprA:
24.03
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.
3WQW_A_GCSA501_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		10 / 11 PHE A 184
GLY A 267
TRP A 268
GLU A 308
MET A 381
TYR A 383
ASP A 384
TYR A 437
ARG A 439
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
TRP  A 268 ( 0.5A)
GLU  A 308 ( 0.6A)
MET  A 381 ( 0.0A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
TYR  A 437 ( 1.3A)
ARG  A 439 ( 0.6A)
TRP  A 532 ( 0.5A)
 0.47A 3wqwA-5gprA:
43.0		 3wqwA-5gprA:
24.03
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.
3X2Q_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.89A 3x2qC-4flxA:
2.7
3x2qJ-4flxA:
undetectable		 3x2qC-4flxA:
13.49
3x2qJ-4flxA:
6.62
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.
3X2Q_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.90A 3x2qP-4flxA:
undetectable
3x2qW-4flxA:
undetectable		 3x2qP-4flxA:
13.49
3x2qW-4flxA:
6.62
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.
3ZOD_A_HQEA1173_1
(FMN-BINDING PROTEIN)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		4 / 7 ASP A 191
ARG A 316
HIS A 309
HIS A 268
 FE  A 401 (-2.4A)
ARG  A 403 (-3.7A)
None
FE  A 401 ( 3.2A)
 1.06A 3zodA-5lunA:
undetectable		 3zodA-5lunA:
16.48
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.
4A6N_A_T1CA392_1
(TETX2 PROTEIN)		 4i62 AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING
PROTEIN, PUTATIVE
(Streptococcus
pneumoniae) 		5 / 11 PHE A  48
GLY A 107
PRO A 199
ALA A 201
GLY A 203
 ARG  A 301 (-3.4A)
ARG  A 301 (-4.7A)
None
None
None
 1.25A 4a6nA-4i62A:
undetectable		 4a6nA-4i62A:
22.50
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.
4A99_A_MIYA392_1
(TETX2 PROTEIN)		 3n26 AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN
(Chlamydia
pneumoniae) 		5 / 9 LEU A 253
TYR A 114
SER A  99
GLN A 150
VAL A 213
 None
None
ARG  A 500 (-2.9A)
ARG  A 500 ( 4.0A)
None
 1.36A 4a99A-3n26A:
0.6
4a99C-3n26A:
0.6		 4a99A-3n26A:
20.70
4a99C-3n26A:
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.
4A99_A_MIYA392_1
(TETX2 PROTEIN)		 3qax PROBABLE ABC
TRANSPORTER
ARGININE-BINDING
PROTEIN ARTJ
(Chlamydia
pneumoniae) 		5 / 9 LEU A 232
TYR A  93
SER A  78
GLN A 129
VAL A 192
 None
None
ARG  A 600 (-2.6A)
ARG  A 600 ( 4.0A)
None
 1.41A 4a99A-3qaxA:
0.0
4a99C-3qaxA:
0.0		 4a99A-3qaxA:
21.20
4a99C-3qaxA:
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.
4AN2_A_EUIA1382_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 3tql ARGININE-BINDING
PROTEIN
(Coxiella
burnetii) 		4 / 4 ASN A 109
SER A  91
LEU A  92
THR A 111
 ARG  A   1 (-3.6A)
None
None
None
 1.32A 4an2A-3tqlA:
undetectable		 4an2A-3tqlA:
21.52
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.
4AZV_A_SAMA1474_1
(WBDD)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		4 / 6 GLN A 466
ARG A 165
ASP A 384
GLN A 397
 GLN  A 466 ( 0.6A)
ARG  A 165 ( 0.6A)
ASP  A 384 ( 0.5A)
GLN  A 397 ( 0.6A)
 1.31A 4azvA-5gprA:
undetectable		 4azvA-5gprA:
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.
4B7Q_A_ZMRA601_2
(NEURAMINIDASE)		 1ted PKS18
(Mycobacterium
tuberculosis) 		3 / 3 ARG A 392
ARG A 393
ILE A 390
 ARG  A 392 ( 0.6A)
ARG  A 393 ( 0.6A)
ILE  A 390 ( 0.7A)
 0.93A 4b7qA-1tedA:
undetectable		 4b7qA-1tedA:
21.80
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.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 11 HIS A 496
GLU A 497
HIS A 500
GLU A 519
TYR A 580
 ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.70A 4c2pA-4j3bA:
7.8		 4c2pA-4j3bA:
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.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 11 HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 381
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.72A 4c2pA-4xmvA:
7.8		 4c2pA-4xmvA:
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.
4C39_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 4c39A-5bs1A:
undetectable
4c39B-5bs1A:
undetectable		 4c39A-5bs1A:
14.45
4c39B-5bs1A:
14.45
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.
4C9L_A_CAMA1419_0
(CYTOCHROME P450)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		5 / 12 ILE A 314
THR A  43
LEU A 372
ILE A 165
VAL A 166
 None
ARG  A 501 (-4.6A)
None
None
None
 0.80A 4c9lA-6f34A:
undetectable		 4c9lA-6f34A:
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.
4C9L_B_CAMB1419_0
(CYTOCHROME P450)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		5 / 12 ILE A 314
THR A  43
LEU A 372
ILE A 165
VAL A 166
 None
ARG  A 501 (-4.6A)
None
None
None
 0.80A 4c9lB-6f34A:
undetectable		 4c9lB-6f34A:
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.
4C9O_A_CAMA423_0
(CYTOCHROME P450)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		5 / 12 ILE A 314
THR A  43
LEU A 372
ILE A 165
VAL A 166
 None
ARG  A 501 (-4.6A)
None
None
None
 0.79A 4c9oA-6f34A:
undetectable		 4c9oA-6f34A:
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.
4C9O_B_CAMB423_0
(CYTOCHROME P450)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		5 / 12 ILE A 314
THR A  43
LEU A 372
ILE A 165
VAL A 166
 None
ARG  A 501 (-4.6A)
None
None
None
 0.80A 4c9oB-6f34A:
undetectable		 4c9oB-6f34A:
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.
4CAM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4camA-5bs1A:
undetectable
4camB-5bs1A:
undetectable		 4camA-5bs1A:
14.45
4camB-5bs1A:
14.45
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.
4CAM_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 4camA-5bs1A:
undetectable
4camB-5bs1A:
undetectable		 4camA-5bs1A:
14.45
4camB-5bs1A:
14.45
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.
4CAN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 4canA-5bs1A:
undetectable
4canB-5bs1A:
undetectable		 4canA-5bs1A:
14.45
4canB-5bs1A:
14.45
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.
4CAO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 4caoA-5bs1A:
undetectable
4caoB-5bs1A:
undetectable		 4caoA-5bs1A:
14.45
4caoB-5bs1A:
14.45
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.
4CAP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4capA-5bs1A:
undetectable
4capB-5bs1A:
undetectable		 4capA-5bs1A:
14.45
4capB-5bs1A:
14.45
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.
4CDT_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.34A 4cdtA-5bs1A:
undetectable
4cdtB-5bs1A:
undetectable		 4cdtA-5bs1A:
14.45
4cdtB-5bs1A:
14.45
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.
4CDT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 4cdtA-5bs1A:
undetectable
4cdtB-5bs1A:
undetectable		 4cdtA-5bs1A:
14.45
4cdtB-5bs1A:
14.45
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.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)		 3c3n DIHYDROOROTATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 7 ASN A 129
ARG A  52
GLY A  22
SER A  26
 ASN  A 129 (-0.6A)
ARG  A  52 ( 0.6A)
GLY  A  22 (-0.0A)
SER  A  26 ( 0.0A)
 0.77A 4cp3A-3c3nA:
undetectable
4cp3B-3c3nA:
undetectable		 4cp3A-3c3nA:
20.77
4cp3B-3c3nA:
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.
4CTP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4ctpA-5bs1A:
undetectable
4ctpB-5bs1A:
undetectable		 4ctpA-5bs1A:
14.45
4ctpB-5bs1A:
14.45
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.
4CTQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4ctqA-5bs1A:
undetectable
4ctqB-5bs1A:
undetectable		 4ctqA-5bs1A:
14.45
4ctqB-5bs1A:
14.45
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.
4CTQ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 4ctqA-5bs1A:
undetectable
4ctqB-5bs1A:
undetectable		 4ctqA-5bs1A:
14.45
4ctqB-5bs1A:
14.45
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.
4CTR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 4ctrA-5bs1A:
undetectable
4ctrB-5bs1A:
undetectable		 4ctrA-5bs1A:
14.45
4ctrB-5bs1A:
14.45
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.
4CTT_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.33A 4cttA-5bs1A:
undetectable
4cttB-5bs1A:
undetectable		 4cttA-5bs1A:
14.45
4cttB-5bs1A:
14.45
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.
4CTU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 4ctuA-5bs1A:
undetectable
4ctuB-5bs1A:
undetectable		 4ctuA-5bs1A:
14.45
4ctuB-5bs1A:
14.45
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.
4CTV_A_H4BA1718_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4ctvA-5bs1A:
undetectable
4ctvB-5bs1A:
undetectable		 4ctvA-5bs1A:
14.45
4ctvB-5bs1A:
14.45
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.
4CTV_B_H4BB1720_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 4ctvA-5bs1A:
undetectable
4ctvB-5bs1A:
undetectable		 4ctvA-5bs1A:
14.45
4ctvB-5bs1A:
14.45
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.
4CTW_A_H4BA1718_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 4ctwA-5bs1A:
undetectable
4ctwB-5bs1A:
undetectable		 4ctwA-5bs1A:
14.45
4ctwB-5bs1A:
14.45
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.
4CX5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4cx5A-5bs1A:
undetectable
4cx5B-5bs1A:
undetectable		 4cx5A-5bs1A:
14.45
4cx5B-5bs1A:
14.45
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.
4D1N_D_H4BD760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.27A 4d1nC-5bs1A:
undetectable
4d1nD-5bs1A:
undetectable		 4d1nC-5bs1A:
16.01
4d1nD-5bs1A:
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.
4D2Z_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.33A 4d2zA-5bs1A:
undetectable
4d2zB-5bs1A:
undetectable		 4d2zA-5bs1A:
14.45
4d2zB-5bs1A:
14.45
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.
4D31_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4d31A-5bs1A:
undetectable
4d31B-5bs1A:
undetectable		 4d31A-5bs1A:
14.45
4d31B-5bs1A:
14.45
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.
4D7H_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		3 / 3 ARG A 364
THR A 358
TRP A 362
 ARG  A 364 ( 0.6A)
THR  A 358 ( 0.8A)
TRP  A 362 ( 0.5A)
 1.15A 4d7hA-2ogsA:
0.4		 4d7hA-2ogsA:
22.54
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.
4DO3_A_0LAA602_1
(FATTY-ACID AMIDE
HYDROLASE 1)		 3kbb PHOSPHORYLATED
CARBOHYDRATES
PHOSPHATASE TM_1254
(Thermotoga
maritima) 		4 / 5 LEU A 105
LEU A 118
MET A  13
THR A 109
 LEU  A 105 ( 0.5A)
LEU  A 118 ( 0.6A)
ARG  A 117 ( 3.6A)
THR  A 109 (-0.8A)
 1.10A 4do3A-3kbbA:
2.3		 4do3A-3kbbA:
15.84
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.
4DPR_A_X8ZA702_1
(LEUKOTRIENE A-4
HYDROLASE)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 9 GLY A 460
HIS A 496
GLU A 497
GLU A 519
TYR A 580
 None
ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.31A 4dprA-4j3bA:
22.4		 4dprA-4j3bA:
23.16
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.
4DPR_A_X8ZA702_1
(LEUKOTRIENE A-4
HYDROLASE)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 9 GLY A 261
HIS A 297
GLU A 298
GLU A 320
TYR A 381
 GOL  A 909 (-3.7A)
ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.35A 4dprA-4xmvA:
30.7		 4dprA-4xmvA:
22.86
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.
4DR2_A_PARA1609_1
(16S RRNA
30S RIBOSOMAL
PROTEIN S9
30S RIBOSOMAL
PROTEIN S10)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 TYR A 282
ARG A 331
SER A 336
 TYR  A 282 ( 1.3A)
ARG  A 331 ( 0.6A)
SER  A 336 ( 0.0A)
 1.07A 4dr2I-2nvvA:
undetectable
4dr2J-2nvvA:
undetectable		 4dr2I-2nvvA:
14.83
4dr2J-2nvvA:
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.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		5 / 12 ARG A 238
ILE A 224
GLY A 332
SER A 240
GLY A 229
 ARG  A 238 ( 0.6A)
ILE  A 224 ( 0.7A)
GLY  A 332 ( 0.0A)
SER  A 240 ( 0.0A)
GLY  A 229 ( 0.0A)
 1.07A 4e1gB-5cdnA:
undetectable		 4e1gB-5cdnA:
20.62
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.
4EAH_F_ACTF402_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		3 / 3 PHE A 126
ASP A 124
ARG A 258
 PHE  A 126 ( 1.3A)
ASP  A 124 ( 0.6A)
ARG  A 258 ( 0.6A)
 0.80A 4eahF-3ab7A:
undetectable		 4eahF-3ab7A:
20.11
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.
4EAH_G_ACTG401_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		3 / 3 PHE A 126
ASP A 124
ARG A 258
 PHE  A 126 ( 1.3A)
ASP  A 124 ( 0.6A)
ARG  A 258 ( 0.6A)
 0.80A 4eahG-3ab7A:
undetectable		 4eahG-3ab7A:
20.11
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.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3qax PROBABLE ABC
TRANSPORTER
ARGININE-BINDING
PROTEIN ARTJ
(Chlamydia
pneumoniae) 		4 / 6 GLU A 206
ILE A 210
GLU A  24
VAL A  53
 None
None
ARG  A 600 (-3.9A)
None
 1.04A 4ejwB-3qaxA:
undetectable		 4ejwB-3qaxA:
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.
4EM2_A_SALA501_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		 4lmq IMMUNOGLOBULIN G1
HEAVY CHAIN
(Homo
sapiens) 		4 / 5 TYR E  90
LEU E  80
LEU E  82
ARG E  66
 TYR  E  90 ( 1.3A)
LEU  E  80 ( 0.5A)
LEU  E  82 ( 0.6A)
ARG  E  66 ( 0.6A)
 1.17A 4em2A-4lmqE:
undetectable		 4em2A-4lmqE:
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.
4EQ4_A_SALA601_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		4 / 7 LEU A 112
TYR A 116
ILE A 234
GLY A 382
 None
ARG  A 501 (-3.9A)
ARG  A 501 (-3.7A)
None
 0.91A 4eq4A-6f34A:
undetectable		 4eq4A-6f34A:
9.52
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.
4EQL_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		4 / 7 LEU A 112
TYR A 116
ILE A 234
GLY A 382
 None
ARG  A 501 (-3.9A)
ARG  A 501 (-3.7A)
None
 0.92A 4eqlA-6f34A:
undetectable		 4eqlA-6f34A:
9.52
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.
4EQL_B_SALB602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		4 / 7 LEU A 112
TYR A 116
ILE A 234
GLY A 382
 None
ARG  A 501 (-3.9A)
ARG  A 501 (-3.7A)
None
 0.94A 4eqlB-6f34A:
undetectable		 4eqlB-6f34A:
9.52
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.
4FEV_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 4ymx ABC-TYPE AMINO ACID
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT
(Caldanaerobacter
subterraneus) 		5 / 10 GLN A 128
SER A 157
ASP A  66
ARG A 113
GLU A  51
 None
ARG  A 301 ( 4.7A)
None
ARG  A 301 (-2.9A)
ARG  A 301 (-3.9A)
 1.40A 4fevA-4ymxA:
undetectable		 4fevA-4ymxA:
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.
4FEX_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 3rit DIPEPTIDE EPIMERASE
(Methylococcus
capsulatus) 		5 / 10 ASP A 190
ASP A 241
ASP A 321
CYH A 294
GLU A 242
 MG  A 365 ( 2.7A)
MG  A 365 ( 3.8A)
ARG  A 363 (-3.5A)
ARG  A 363 (-3.8A)
MG  A 365 ( 3.1A)
 1.41A 4fexD-3ritA:
0.0		 4fexD-3ritA:
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.
4FGZ_B_CQAB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3c3n DIHYDROOROTATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 8 GLU A 304
GLU A 305
GLY A 266
ARG A 307
 GLU  A 304 ( 0.6A)
GLU  A 305 ( 0.6A)
GLY  A 266 ( 0.0A)
ARG  A 307 ( 0.6A)
 1.03A 4fgzA-3c3nA:
undetectable
4fgzB-3c3nA:
undetectable		 4fgzA-3c3nA:
22.15
4fgzB-3c3nA:
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.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)		 3tql ARGININE-BINDING
PROTEIN
(Coxiella
burnetii) 		5 / 6 THR A 126
GLY A 229
ASN A 127
TYR A  54
GLY A 106
 None
None
None
None
ARG  A   1 (-4.0A)
 1.46A 4fjpA-3tqlA:
8.3		 4fjpA-3tqlA:
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.
4FP9_A_SAMA401_1
(METHYLTRANSFERASE
NSUN4)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		3 / 3 ASP A 319
ARG A 321
ASP A 306
 ASP  A 319 ( 0.6A)
ARG  A 321 ( 0.6A)
ASP  A 306 ( 0.6A)
 0.82A 4fp9A-2vbfA:
undetectable		 4fp9A-2vbfA:
20.45
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.
4FP9_C_SAMC401_1
(METHYLTRANSFERASE
NSUN4)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		3 / 3 ASP A 319
ARG A 321
ASP A 306
 ASP  A 319 ( 0.6A)
ARG  A 321 ( 0.6A)
ASP  A 306 ( 0.6A)
 0.71A 4fp9C-2vbfA:
undetectable		 4fp9C-2vbfA:
20.45
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.
4FP9_C_SAMC401_1
(METHYLTRANSFERASE
NSUN4)		 3sag EXOSOME COMPONENT 10
(Homo
sapiens) 		3 / 3 ASP A 439
ARG A 438
ASP A 414
 ASP  A 439 ( 0.6A)
ARG  A 438 ( 0.6A)
ASP  A 414 ( 0.6A)
 0.86A 4fp9C-3sagA:
undetectable		 4fp9C-3sagA:
22.20
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.
4FP9_F_SAMF401_1
(METHYLTRANSFERASE
NSUN4)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		3 / 3 ASP A 210
ARG A 193
ASP A 208
 ASP  A 210 ( 0.6A)
ARG  A 193 ( 0.6A)
ASP  A 208 ( 0.5A)
 0.90A 4fp9F-1rrvA:
3.6		 4fp9F-1rrvA:
23.66
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.
4FP9_F_SAMF401_1
(METHYLTRANSFERASE
NSUN4)		 2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE
(Lactococcus
lactis) 		3 / 3 ASP A 319
ARG A 321
ASP A 306
 ASP  A 319 ( 0.6A)
ARG  A 321 ( 0.6A)
ASP  A 306 ( 0.6A)
 0.73A 4fp9F-2vbfA:
undetectable		 4fp9F-2vbfA:
20.45
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.
4FP9_F_SAMF401_1
(METHYLTRANSFERASE
NSUN4)		 3sag EXOSOME COMPONENT 10
(Homo
sapiens) 		3 / 3 ASP A 439
ARG A 438
ASP A 414
 ASP  A 439 ( 0.6A)
ARG  A 438 ( 0.6A)
ASP  A 414 ( 0.6A)
 0.84A 4fp9F-3sagA:
undetectable		 4fp9F-3sagA:
22.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		4 / 5 HIS A  56
GLN A 192
GLY A 193
SER A 195
 ARG  A 703 (-4.3A)
ARG  A 703 (-3.1A)
ARG  A 703 (-3.6A)
ARG  A 703 (-2.3A)
 0.89A 4fu8A-1pq5A:
34.2		 4fu8A-1pq5A:
33.20
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.
4FVW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4fvwA-5bs1A:
undetectable
4fvwB-5bs1A:
undetectable		 4fvwA-5bs1A:
14.45
4fvwB-5bs1A:
14.45
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.
4FVW_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 4fvwA-5bs1A:
undetectable
4fvwB-5bs1A:
undetectable		 4fvwA-5bs1A:
14.45
4fvwB-5bs1A:
14.45
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.
4FVX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4fvxA-5bs1A:
undetectable
4fvxB-5bs1A:
undetectable		 4fvxA-5bs1A:
14.45
4fvxB-5bs1A:
14.45
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.
4FVX_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.27A 4fvxA-5bs1A:
undetectable
4fvxB-5bs1A:
undetectable		 4fvxA-5bs1A:
14.45
4fvxB-5bs1A:
14.45
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.
4FZV_A_SAMA401_1
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		 2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS
(Bacillus
subtilis) 		3 / 3 ASP A 141
ARG A 128
ASP A 247
 None
ARG  A2000 (-4.0A)
None
 0.89A 4fzvA-2an2A:
undetectable		 4fzvA-2an2A:
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.
4GQE_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4gqeA-5bs1A:
undetectable
4gqeB-5bs1A:
undetectable		 4gqeA-5bs1A:
14.45
4gqeB-5bs1A:
14.45
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.
4GQE_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 4gqeA-5bs1A:
undetectable
4gqeB-5bs1A:
undetectable		 4gqeA-5bs1A:
14.45
4gqeB-5bs1A:
14.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HFP_D_15UD402_1
(PROTHROMBIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 12 HIS A  56
ASP A 189
VAL A 210
TRP A 212
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-2.0A)
ARG  A 703 (-4.5A)
None
ARG  A 703 (-2.6A)
 0.33A 4hfpD-1pq5A:
32.2		 4hfpD-1pq5A:
34.48
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.
4HOJ_A_ACTA303_0
(REGF PROTEIN)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		4 / 5 VAL A 251
ARG A 254
MET A 255
GLU A  56
 VAL  A 251 ( 0.6A)
ARG  A 254 ( 0.6A)
MET  A 255 (-0.0A)
GLU  A  56 ( 0.6A)
 0.82A 4hojA-4c9gA:
undetectable		 4hojA-4c9gA:
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.
4I41_A_MIXA501_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 4ymx ABC-TYPE AMINO ACID
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT
(Caldanaerobacter
subterraneus) 		5 / 12 ILE A 104
THR A  43
ASP A  66
THR A 195
ARG A 113
 None
None
None
None
ARG  A 301 (-2.9A)
 1.38A 4i41A-4ymxA:
undetectable		 4i41A-4ymxA:
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.
4IFX_A_ACTA404_0
(THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE)		 4urs DIGUANYLATE CYCLASE
(Thermotoga
maritima) 		4 / 5 SER A 150
LYS A 147
ARG A 165
LEU A  96
 SER  A 150 ( 0.0A)
LYS  A 147 ( 0.0A)
ARG  A 165 ( 0.6A)
LEU  A  96 ( 0.6A)
 1.31A 4ifxA-4ursA:
1.2		 4ifxA-4ursA:
19.77
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.
4IG1_A_ACTA504_0
(FAD:PROTEIN FMN
TRANSFERASE)		 4urs DIGUANYLATE CYCLASE
(Thermotoga
maritima) 		4 / 5 SER A 150
LYS A 147
ARG A 165
LEU A  96
 SER  A 150 ( 0.0A)
LYS  A 147 ( 0.0A)
ARG  A 165 ( 0.6A)
LEU  A  96 ( 0.6A)
 1.29A 4ig1A-4ursA:
undetectable		 4ig1A-4ursA:
19.77
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.
4J4V_C_SVRC301_1
(NUCLEOCAPSID PROTEIN)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 8 GLY A 318
ASN A 321
ARG A 337
PRO A  17
 GLY  A 318 ( 0.0A)
ASN  A 321 ( 0.6A)
ARG  A 337 ( 0.6A)
PRO  A  17 ( 1.0A)
 0.94A 4j4vC-4yzrA:
2.5		 4j4vC-4yzrA:
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.
4JSG_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4jsgA-5bs1A:
undetectable
4jsgB-5bs1A:
undetectable		 4jsgA-5bs1A:
14.45
4jsgB-5bs1A:
14.45
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.
4JSI_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 4jsiA-5bs1A:
undetectable
4jsiB-5bs1A:
undetectable		 4jsiA-5bs1A:
14.45
4jsiB-5bs1A:
14.45
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.
4JSJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4jsjA-5bs1A:
undetectable
4jsjB-5bs1A:
undetectable		 4jsjA-5bs1A:
14.45
4jsjB-5bs1A:
14.45
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.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 8 ASN A 226
ARG A 209
ASP A 238
LEU A 235
 ASN  A 226 ( 0.6A)
ARG  A 209 ( 0.6A)
ASP  A 238 ( 0.5A)
LEU  A 235 ( 0.6A)
 0.99A 4k0bA-5d7wA:
undetectable		 4k0bA-5d7wA:
21.97
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.
4K17_B_OHBB701_0
(LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 16A)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 5 GLU A 185
ARG A 212
PRO A 289
SER A 241
 GLU  A 185 ( 0.5A)
ARG  A 212 ( 0.6A)
PRO  A 289 ( 1.1A)
SER  A 241 ( 0.0A)
 1.38A 4k17B-4kqnA:
undetectable		 4k17B-4kqnA:
20.96
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.
4K5E_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4k5eA-5bs1A:
undetectable
4k5eB-5bs1A:
undetectable		 4k5eA-5bs1A:
14.45
4k5eB-5bs1A:
14.45
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.
4K5G_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 4k5gA-5bs1A:
undetectable
4k5gB-5bs1A:
undetectable		 4k5gA-5bs1A:
14.45
4k5gB-5bs1A:
14.45
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.
4KCK_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4kckA-5bs1A:
undetectable
4kckB-5bs1A:
undetectable		 4kckA-5bs1A:
14.45
4kckB-5bs1A:
14.45
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.
4KCK_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 4kckA-5bs1A:
undetectable
4kckB-5bs1A:
undetectable		 4kckA-5bs1A:
14.45
4kckB-5bs1A:
14.45
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.
4KCL_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 4kclA-5bs1A:
undetectable
4kclB-5bs1A:
undetectable		 4kclA-5bs1A:
14.45
4kclB-5bs1A:
14.45
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.
4KCM_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4kcmA-5bs1A:
undetectable
4kcmB-5bs1A:
undetectable		 4kcmA-5bs1A:
14.45
4kcmB-5bs1A:
14.45
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.
4KCN_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4kcnA-5bs1A:
undetectable
4kcnB-5bs1A:
undetectable		 4kcnA-5bs1A:
14.45
4kcnB-5bs1A:
14.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KCN_A_MTLA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS
(Bacillus
subtilis) 		5 / 6 ARG A 128
GLU A 239
ARG A 243
ASP A 247
ARG A 250
 ARG  A2000 (-4.0A)
ARG  A2000 ( 3.1A)
H4B  A 903 (-3.4A)
None
None
 0.54A 4kcnA-2an2A:
48.5		 4kcnA-2an2A:
40.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KCN_A_MTLA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2flq NITRIC OXIDE
SYNTHASE
(Geobacillus
stearothermophil
us) 		5 / 6 ARG A 138
GLU A 248
ARG A 252
ASP A 256
ARG A 259
 ARG  A 376 (-3.6A)
ARG  A 376 ( 2.9A)
None
None
None
 0.72A 4kcnA-2flqA:
47.9		 4kcnA-2flqA:
42.32
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.
4KCN_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 4kcnA-5bs1A:
undetectable
4kcnB-5bs1A:
undetectable		 4kcnA-5bs1A:
14.45
4kcnB-5bs1A:
14.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KCN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS
(Bacillus
subtilis) 		5 / 6 ARG A 128
GLU A 239
ARG A 243
ASP A 247
ARG A 250
 ARG  A2000 (-4.0A)
ARG  A2000 ( 3.1A)
H4B  A 903 (-3.4A)
None
None
 0.55A 4kcnB-2an2A:
48.5		 4kcnB-2an2A:
40.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KCN_B_MTLB805_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 2flq NITRIC OXIDE
SYNTHASE
(Geobacillus
stearothermophil
us) 		5 / 6 ARG A 138
GLU A 248
ARG A 252
ASP A 256
ARG A 259
 ARG  A 376 (-3.6A)
ARG  A 376 ( 2.9A)
None
None
None
 0.70A 4kcnB-2flqA:
47.9		 4kcnB-2flqA:
42.32
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.
4KCO_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4kcoA-5bs1A:
undetectable
4kcoB-5bs1A:
undetectable		 4kcoA-5bs1A:
14.45
4kcoB-5bs1A:
14.45
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.
4KCO_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 4kcoA-5bs1A:
undetectable
4kcoB-5bs1A:
undetectable		 4kcoA-5bs1A:
14.45
4kcoB-5bs1A:
14.45
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.
4KHP_A_PARA1606_1
(16S RIBOSOMAL RNA
30S RIBOSOMAL
PROTEIN S9
30S RIBOSOMAL
PROTEIN S10)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		3 / 3 TYR A 382
ARG A 354
SER A 353
 TYR  A 382 ( 1.3A)
ARG  A 354 ( 0.6A)
SER  A 353 ( 0.0A)
 1.11A 4khpI-1v0fA:
undetectable
4khpJ-1v0fA:
undetectable		 4khpI-1v0fA:
11.48
4khpJ-1v0fA:
9.83
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.
4KKY_X_CAMX503_0
(CAMPHOR
5-MONOOXYGENASE)		 5lt9 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
PCTB
(Pseudomonas
aeruginosa) 		4 / 6 PHE A  99
LEU A 117
VAL A 153
ASP A 173
 ARG  A 301 (-3.6A)
ARG  A 301 (-4.7A)
None
ARG  A 301 (-3.1A)
 1.17A 4kkyX-5lt9A:
undetectable		 4kkyX-5lt9A:
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.
4KLR_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		3 / 3 LEU A  79
PRO A  78
ARG A 269
 LEU  A  79 ( 0.6A)
PRO  A  78 ( 1.1A)
ARG  A 269 ( 0.6A)
 0.66A 4klrB-1c8xA:
undetectable		 4klrB-1c8xA:
20.22
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.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1wly 2-HALOACRYLATE
REDUCTASE
(Burkholderia
sp.
WS) 		4 / 5 MET A 127
LEU A 289
ARG A  87
SER A 326
 MET  A 127 ( 0.0A)
LEU  A 289 ( 0.6A)
ARG  A  87 ( 0.6A)
SER  A 326 ( 0.0A)
 1.49A 4kmmB-1wlyA:
3.9		 4kmmB-1wlyA:
22.00
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.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3icc PUTATIVE
3-OXOACYL-(ACYL
CARRIER PROTEIN)
REDUCTASE
(Bacillus
anthracis) 		4 / 5 LEU A 200
ARG A 217
PRO A 188
SER A 145
 LEU  A 200 ( 0.6A)
ARG  A 217 ( 0.6A)
PRO  A 188 (-1.1A)
SER  A 145 (-0.0A)
 1.31A 4kmmB-3iccA:
3.4		 4kmmB-3iccA:
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.
4KOT_A_CE3A205_1
(UNCHARACTERIZED
PROTEIN)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		5 / 12 PHE A 283
ARG A 321
GLY A  77
TYR A 126
LEU A 173
 ARG  A 403 ( 4.2A)
None
None
None
OGA  A 402 (-4.5A)
 1.50A 4kotA-5lunA:
undetectable		 4kotA-5lunA:
20.29
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.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		5 / 12 PHE A 283
ARG A 321
GLY A  77
TYR A 126
LEU A 173
 ARG  A 403 ( 4.2A)
None
None
None
OGA  A 402 (-4.5A)
 1.50A 4kowA-5lunA:
undetectable		 4kowA-5lunA:
20.29
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		3 / 3 ARG A  92
GLU A  96
PHE A 318
 ARG  A  92 ( 0.6A)
GLU  A  96 ( 0.6A)
PHE  A 318 ( 1.3A)
 0.96A 4kszA-2j5bA:
undetectable		 4kszA-2j5bA:
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.
4KSZ_A_CYSA620_0
(LACTOPEROXIDASE)		 5l5n PLEXIN-A4
(Mus
musculus) 		3 / 3 ARG A  69
GLU A  45
PHE A  42
 ARG  A  69 ( 0.6A)
GLU  A  45 ( 0.5A)
PHE  A  42 ( 1.3A)
 0.78A 4kszA-5l5nA:
undetectable		 4kszA-5l5nA:
18.88
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.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		4 / 6 LEU A 112
TYR A 116
ILE A 234
GLY A 382
 None
ARG  A 501 (-3.9A)
ARG  A 501 (-3.7A)
None
 0.99A 4l39A-6f34A:
undetectable		 4l39A-6f34A:
9.52
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.
4L7I_B_SAMB501_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 8 ASN A 226
ARG A 209
ASP A 238
LEU A 235
 ASN  A 226 ( 0.6A)
ARG  A 209 ( 0.6A)
ASP  A 238 ( 0.5A)
LEU  A 235 ( 0.6A)
 1.07A 4l7iA-5d7wA:
undetectable		 4l7iA-5d7wA:
21.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LHM_A_AZZA510_1
(THYMIDINE
PHOSPHORYLASE)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		8 / 11 THR A  84
TYR A 165
ARG A 168
VAL A 174
ILE A 180
SER A 183
MET A 208
LEU A 217
 THR  A  84 ( 0.8A)
TYR  A 165 ( 1.3A)
ARG  A 168 ( 0.6A)
VAL  A 174 ( 0.5A)
ILE  A 180 ( 0.7A)
SER  A 183 ( 0.0A)
MET  A 208 ( 0.0A)
LEU  A 217 ( 0.6A)
 0.63A 4lhmA-5ep8A:
52.9		 4lhmA-5ep8A:
45.17
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.
4LL3_A_017A201_1
(PROTEASE)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		4 / 8 ALA A 133
GLY A 182
VAL A 210
ILE A 199
 None
None
ARG  A 703 (-4.5A)
None
 0.74A 4ll3A-1pq5A:
undetectable		 4ll3A-1pq5A:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNW_A_T3A501_2
(THYROID HORMONE
RECEPTOR ALPHA)		 2pk2 CYCLIN-T1, PROTEIN
TAT
(Equine
infectious
anemia
virus;
Homo
sapiens) 		3 / 3 ILE A 105
MET A  48
ARG A  51
 ILE  A 105 ( 0.7A)
MET  A  48 ( 0.0A)
ARG  A  51 ( 0.6A)
 0.90A 4lnwA-2pk2A:
undetectable		 4lnwA-2pk2A:
19.95
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.
4LNX_A_T3A502_2
(THYROID HORMONE
RECEPTOR ALPHA)		 2pk2 CYCLIN-T1, PROTEIN
TAT
(Equine
infectious
anemia
virus;
Homo
sapiens) 		3 / 3 ILE A 105
MET A  48
ARG A  51
 ILE  A 105 ( 0.7A)
MET  A  48 ( 0.0A)
ARG  A  51 ( 0.6A)
 0.89A 4lnxA-2pk2A:
1.8		 4lnxA-2pk2A:
19.95
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.
4LUH_A_ACTA608_0
(SERUM ALBUMIN)		 1wly 2-HALOACRYLATE
REDUCTASE
(Burkholderia
sp.
WS) 		4 / 4 PRO A 113
ASP A 115
LEU A 116
ARG A  87
 PRO  A 113 ( 1.1A)
ASP  A 115 ( 0.5A)
LEU  A 116 ( 0.6A)
ARG  A  87 ( 0.6A)
 1.42A 4luhA-1wlyA:
0.0		 4luhA-1wlyA:
19.24
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.
4LUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4luxA-5bs1A:
undetectable
4luxB-5bs1A:
undetectable		 4luxA-5bs1A:
14.45
4luxB-5bs1A:
14.45
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.
4LUX_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 4luxA-5bs1A:
undetectable
4luxB-5bs1A:
undetectable		 4luxA-5bs1A:
14.45
4luxB-5bs1A:
14.45
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 TYR A  37
ILE A 109
ARG A  97
ILE A 100
 TYR  A  37 ( 1.3A)
ILE  A 109 ( 0.6A)
ARG  A  97 ( 0.6A)
ILE  A 100 ( 0.6A)
 0.92A 4lv9B-4flxA:
undetectable		 4lv9B-4flxA:
23.89
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4rhy HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Mycobacterium
tuberculosis) 		4 / 7 VAL A 121
ARG A  77
ILE A  79
ALA A  78
 VAL  A 121 ( 0.6A)
ARG  A  77 ( 0.6A)
ILE  A  79 ( 0.7A)
ALA  A  78 ( 0.0A)
 0.84A 4lv9B-4rhyA:
undetectable		 4lv9B-4rhyA:
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.
4M11_C_MXMC606_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		3 / 3 LEU A 173
ARG A 331
MET A 281
 LEU  A 173 ( 0.6A)
ARG  A 331 ( 0.6A)
PHE  A 279 ( 3.6A)
 0.95A 4m11C-2nvvA:
undetectable		 4m11C-2nvvA:
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.
4M11_C_MXMC606_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		3 / 3 LEU A 358
ARG A 359
MET A 129
 LEU  A 358 (-0.5A)
ARG  A 359 ( 0.6A)
MET  A 129 ( 0.0A)
 1.00A 4m11C-4flxA:
undetectable		 4m11C-4flxA:
22.09
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.
4M7T_A_SAMA503_0
(BTRN)		 1k5d RAN-SPECIFIC
GTPASE-ACTIVATING
PROTEIN
(Homo
sapiens) 		5 / 11 THR B 124
HIS B 102
LEU B 138
LEU B  55
ARG B  70
 THR  B 124 ( 0.8A)
HIS  B 102 ( 1.0A)
LEU  B 138 ( 0.6A)
LEU  B  55 ( 0.6A)
ARG  B  70 ( 0.6A)
 1.46A 4m7tA-1k5dB:
undetectable		 4m7tA-1k5dB:
22.06
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.
4MDA_A_RLTA403_1
(MARINER MOS1
TRANSPOSASE)		 3kum DIPEPTIDE EPIMERASE
(Enterococcus
faecalis) 		4 / 6 ASP A 318
ASP A 320
ALA A 338
ASP A 132
 ARG  A 355 (-2.8A)
ARG  A 355 (-3.3A)
None
None
 1.05A 4mdaA-3kumA:
undetectable		 4mdaA-3kumA:
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.
4MDB_A_RLTA401_1
(MARINER MOS1
TRANSPOSASE)		 3kum DIPEPTIDE EPIMERASE
(Enterococcus
faecalis) 		4 / 6 ASP A 318
ASP A 320
ALA A 338
ASP A 132
 ARG  A 355 (-2.8A)
ARG  A 355 (-3.3A)
None
None
 1.02A 4mdbA-3kumA:
undetectable		 4mdbA-3kumA:
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.
4MK4_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5l5n PLEXIN-A4
(Mus
musculus) 		3 / 3 LEU A 118
ILE A 127
ARG A 125
 LEU  A 118 ( 0.5A)
ILE  A 127 ( 0.6A)
ARG  A 125 ( 0.6A)
 0.67A 4mk4B-5l5nA:
undetectable		 4mk4B-5l5nA:
15.50
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.
4MM7_A_29JA603_1
(TRANSPORTER)		 5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3
(Oryzias
latipes) 		5 / 10 TYR B 467
TYR B 449
SER B 300
GLY B 322
ASP B 198
 None
None
ARG  B 951 ( 4.6A)
None
None
 1.43A 4mm7A-5x2oB:
undetectable		 4mm7A-5x2oB:
21.12
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.
4MMC_A_29JA603_1
(TRANSPORTER)		 5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3
(Oryzias
latipes) 		5 / 10 TYR B 467
TYR B 449
SER B 300
GLY B 322
ASP B 198
 None
None
ARG  B 951 ( 4.6A)
None
None
 1.47A 4mmcA-5x2oB:
undetectable		 4mmcA-5x2oB:
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.
4MMD_A_29EA603_1
(TRANSPORTER)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 10 PRO A 198
VAL A 210
ALA A 209
GLY A 139
GLY A  42
 None
ARG  A 703 (-4.5A)
None
None
None
 1.19A 4mmdA-1pq5A:
undetectable		 4mmdA-1pq5A:
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.
4MMD_B_29EB603_1
(TRANSPORTER)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 12 PRO A 198
VAL A 210
ALA A 209
TYR A 225
GLY A 139
GLY A  42
 None
ARG  A 703 (-4.5A)
None
None
None
None
 1.48A 4mmdB-1pq5A:
undetectable		 4mmdB-1pq5A:
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.
4NKV_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE
(Homo
sapiens) 		5 / 12 LEU A 230
ALA A 278
ARG A 183
ALA A 185
VAL A 370
 LEU  A 230 ( 0.6A)
ALA  A 278 ( 0.0A)
ARG  A 183 ( 0.6A)
ALA  A 185 ( 0.0A)
VAL  A 370 ( 0.6A)
 1.04A 4nkvA-1wojA:
undetectable		 4nkvA-1wojA:
19.25
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.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ig0 DNA GYRASE SUBUNIT B
(Mycobacterium
tuberculosis) 		4 / 5 ILE A 513
ARG A 553
ASP A 645
VAL A 496
 ILE  A 513 ( 0.3A)
ARG  A 553 ( 0.6A)
ASP  A 645 ( 0.6A)
VAL  A 496 ( 0.6A)
 1.17A 4nkxC-3ig0A:
undetectable		 4nkxC-3ig0A:
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.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ig0 DNA GYRASE SUBUNIT B
(Mycobacterium
tuberculosis) 		4 / 5 ILE A 513
ARG A 553
ASP A 645
VAL A 496
 ILE  A 513 ( 0.3A)
ARG  A 553 ( 0.6A)
ASP  A 645 ( 0.6A)
VAL  A 496 ( 0.6A)
 1.16A 4nkxD-3ig0A:
undetectable		 4nkxD-3ig0A:
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.
4NKX_D_STRD601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ig0 DNA GYRASE SUBUNIT B
(Mycobacterium
tuberculosis) 		4 / 5 ILE A 513
ARG A 553
ASP A 645
VAL A 502
 ILE  A 513 ( 0.3A)
ARG  A 553 ( 0.6A)
ASP  A 645 ( 0.6A)
VAL  A 502 ( 0.6A)
 1.24A 4nkxD-3ig0A:
undetectable		 4nkxD-3ig0A:
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.
4O8Z_A_BBIA402_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		 4zv1 ANCQR
(synthetic
construct) 		4 / 5 PHE A  23
PHE A  20
LEU A  32
PRO A  55
 None
ARG  A 301 (-3.4A)
None
None
 1.42A 4o8zA-4zv1A:
undetectable		 4o8zA-4zv1A:
23.75
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.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		 6ao8 ARGININE--TRNA
LIGASE
(Neisseria
gonorrhoeae) 		5 / 12 GLY A 160
ASN A 123
HIS A 132
ASP A 161
ASN A 157
 ARG  A 601 ( 4.6A)
ARG  A 601 (-3.4A)
ARG  A 601 (-4.0A)
None
None
 1.36A 4pooB-6ao8A:
2.1		 4pooB-6ao8A:
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.
4PWJ_A_30ZA201_1
(TRANSTHYRETIN)		 4ymx ABC-TYPE AMINO ACID
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT
(Caldanaerobacter
subterraneus) 		4 / 6 LYS A 170
LEU A 172
THR A 148
SER A 157
 None
None
None
ARG  A 301 ( 4.7A)
 0.93A 4pwjA-4ymxA:
undetectable		 4pwjA-4ymxA:
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.
4PXX_A_CHDA302_0
(CARBONIC ANHYDRASE 2)		 2flq NITRIC OXIDE
SYNTHASE
(Geobacillus
stearothermophil
us) 		5 / 9 GLU A 248
HIS A 307
HIS A 308
THR A 343
THR A 344
 ARG  A 376 ( 2.9A)
None
None
None
None
 1.03A 4pxxA-2flqA:
undetectable		 4pxxA-2flqA:
19.25
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.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 12 PRO A 196
THR A 197
ARG A  94
SER A 208
GLY A 200
 PRO  A 196 ( 1.1A)
THR  A 197 ( 0.8A)
ARG  A  94 ( 0.6A)
SER  A 208 ( 0.0A)
GLY  A 200 ( 0.0A)
 1.32A 4q15A-3wd7A:
undetectable		 4q15A-3wd7A:
22.29
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.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)		 4ymx ABC-TYPE AMINO ACID
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT
(Caldanaerobacter
subterraneus) 		5 / 12 LEU A 122
PRO A 109
THR A 108
SER A 157
GLY A 154
 None
None
ARG  A 301 (-4.1A)
ARG  A 301 ( 4.7A)
None
 1.38A 4q15A-4ymxA:
2.9		 4q15A-4ymxA:
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.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 12 PRO A 196
THR A 197
ARG A  94
SER A 208
GLY A 200
 PRO  A 196 ( 1.1A)
THR  A 197 ( 0.8A)
ARG  A  94 ( 0.6A)
SER  A 208 ( 0.0A)
GLY  A 200 ( 0.0A)
 1.32A 4q15B-3wd7A:
undetectable		 4q15B-3wd7A:
22.29
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.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		 4ymx ABC-TYPE AMINO ACID
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT
(Caldanaerobacter
subterraneus) 		5 / 12 LEU A 122
PRO A 109
THR A 108
SER A 157
GLY A 154
 None
None
ARG  A 301 (-4.1A)
ARG  A 301 ( 4.7A)
None
 1.36A 4q15B-4ymxA:
undetectable		 4q15B-4ymxA:
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.
4Q1X_A_017A101_2
(ASPARTYL PROTEASE)		 2rd5 ACETYLGLUTAMATE
KINASE-LIKE PROTEIN
(Arabidopsis
thaliana) 		6 / 12 LEU A 263
ILE A 234
ILE A 231
GLY A 292
ILE A 273
ILE A 295
 None
None
None
ARG  A1000 (-4.4A)
None
None
 1.46A 4q1xB-2rd5A:
undetectable		 4q1xB-2rd5A:
17.81
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.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)		 5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE
(Flavobacterium
psychrophilum) 		5 / 12 LEU A 100
ALA A 321
ASN A 210
GLY A 202
ASP A 219
 None
ARG  A 801 (-3.7A)
ARG  A 801 (-2.9A)
None
None
 1.31A 4qckA-5jxfA:
undetectable		 4qckA-5jxfA:
19.95
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.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		4 / 8 LEU A 155
THR A 153
ARG A 253
SER A  42
 LEU  A 155 ( 0.6A)
THR  A 153 ( 0.8A)
ARG  A 253 ( 0.6A)
SER  A  42 ( 0.0A)
 1.17A 4qknA-4c9gA:
undetectable		 4qknA-4c9gA:
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.
4QOP_C_HQEC503_1
(CATALASE)		 6ao8 ARGININE--TRNA
LIGASE
(Neisseria
gonorrhoeae) 		4 / 8 PHE A 301
TYR A 312
LEU A 347
PHE A 344
 None
ARG  A 601 (-4.4A)
None
ARG  A 601 (-4.8A)
 0.92A 4qopC-6ao8A:
undetectable		 4qopC-6ao8A:
22.54
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.
4QZT_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 2)		 3qax PROBABLE ABC
TRANSPORTER
ARGININE-BINDING
PROTEIN ARTJ
(Chlamydia
pneumoniae) 		5 / 12 GLN A 124
THR A 127
TYR A 128
SER A  78
LEU A 164
 ARG  A 600 (-3.6A)
ARG  A 600 (-4.3A)
ARG  A 600 (-4.7A)
ARG  A 600 (-2.6A)
None
 1.41A 4qztA-3qaxA:
undetectable		 4qztA-3qaxA:
22.30
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		7 / 12 ALA A 320
HIS A 496
GLU A 497
HIS A 500
TRP A 512
GLU A 519
TYR A 580
 None
ZN  A1102 ( 3.2A)
ARG  A1101 (-2.5A)
ZN  A1102 ( 3.2A)
None
ZN  A1102 ( 2.1A)
ARG  A1101 (-4.5A)
 0.32A 4r7lA-4j3bA:
22.1		 4r7lA-4j3bA:
23.42
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		7 / 12 ALA A 122
HIS A 297
GLU A 298
HIS A 301
TRP A 313
GLU A 320
TYR A 381
 None
ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
None
ZN  A 901 ( 2.1A)
GOL  A 910 ( 3.5A)
 0.34A 4r7lA-4xmvA:
40.0		 4r7lA-4xmvA:
22.80
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		5 / 12 HIS A 297
GLU A 298
HIS A 301
GLU A 320
TYR A 376
 ZN  A 901 ( 3.2A)
ARG  A 902 (-2.8A)
ZN  A 901 ( 3.2A)
ZN  A 901 ( 2.1A)
ARG  A 902 ( 3.8A)
 1.28A 4r7lA-4xmvA:
40.0		 4r7lA-4xmvA:
22.80
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.
4R82_A_ACTA205_0
(OXIDOREDUCTASE)		 1ryn PROTEIN CRS2
(Zea
mays) 		4 / 5 GLY A 138
ARG A  21
GLU A 158
PHE A 154
 GLY  A 138 ( 0.0A)
ARG  A  21 ( 0.6A)
GLU  A 158 ( 0.6A)
PHE  A 154 ( 1.3A)
 1.02A 4r82A-1rynA:
undetectable
4r82B-1rynA:
undetectable		 4r82A-1rynA:
24.19
4r82B-1rynA:
24.19
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.
4R82_A_ACTA205_0
(OXIDOREDUCTASE)		 5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3
(Oryzias
latipes) 		4 / 5 SER B 169
GLY B 171
ARG B 188
PHE B 186
 None
ARG  B 951 (-4.2A)
None
None
 1.08A 4r82A-5x2oB:
undetectable
4r82B-5x2oB:
undetectable		 4r82A-5x2oB:
18.60
4r82B-5x2oB:
18.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4RN6_B_15UB301_1
(THROMBIN HEAVY CHAIN)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		5 / 12 HIS A  56
VAL A 210
TRP A 212
GLY A 213
GLY A 223
 ARG  A 703 (-4.3A)
ARG  A 703 (-4.5A)
None
ARG  A 703 ( 3.7A)
ARG  A 703 (-2.6A)
 0.37A 4rn6B-1pq5A:
26.8		 4rn6B-1pq5A:
34.48
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.
4RTB_A_SAMA501_1
(HYDG PROTEIN)		 1f7u ARGINYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		3 / 3 GLU A 294
ARG A 350
GLN A 375
 A  B 976 ( 2.6A)
A  B 976 ( 3.1A)
ARG  A 800 (-3.5A)
 0.94A 4rtbA-1f7uA:
undetectable		 4rtbA-1f7uA:
22.55
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.
4RTB_A_SAMA501_1
(HYDG PROTEIN)		 4xm4 MEX67
(Chaetomium
thermophilum) 		3 / 3 GLU A 511
ARG A 522
GLN A 516
 GLU  A 511 ( 0.5A)
ARG  A 522 ( 0.6A)
GLN  A 516 ( 0.6A)
 0.93A 4rtbA-4xm4A:
undetectable		 4rtbA-4xm4A:
22.18
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.
4TWD_G_377G401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		4 / 6 TYR A 114
ARG A 150
GLU A 334
LEU A 177
 TYR  A 114 ( 1.3A)
ARG  A 150 ( 0.6A)
GLU  A 334 ( 0.6A)
LEU  A 177 ( 0.6A)
 1.37A 4twdF-2nvvA:
undetectable
4twdG-2nvvA:
undetectable		 4twdF-2nvvA:
21.66
4twdG-2nvvA:
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.
4UG5_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		3 / 3 ARG A 364
THR A 358
TRP A 362
 ARG  A 364 ( 0.6A)
THR  A 358 ( 0.8A)
TRP  A 362 ( 0.5A)
 1.09A 4ug5A-2ogsA:
0.4		 4ug5A-2ogsA:
22.54
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.
4UGL_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		3 / 3 ARG A 364
THR A 358
TRP A 362
 ARG  A 364 ( 0.6A)
THR  A 358 ( 0.8A)
TRP  A 362 ( 0.5A)
 1.14A 4uglA-2ogsA:
0.4		 4uglA-2ogsA:
22.54
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.
4UGZ_B_H4BB760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 4ugzA-5bs1A:
undetectable
4ugzB-5bs1A:
undetectable		 4ugzA-5bs1A:
14.45
4ugzB-5bs1A:
14.45
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.
4UH0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 4uh0A-5bs1A:
undetectable
4uh0B-5bs1A:
undetectable		 4uh0A-5bs1A:
14.45
4uh0B-5bs1A:
14.45
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.
4UH0_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 4uh0A-5bs1A:
undetectable
4uh0B-5bs1A:
undetectable		 4uh0A-5bs1A:
14.45
4uh0B-5bs1A:
14.45
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.
4UH2_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4uh2A-5bs1A:
undetectable
4uh2B-5bs1A:
undetectable		 4uh2A-5bs1A:
14.45
4uh2B-5bs1A:
14.45
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.
4UH2_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 4uh2A-5bs1A:
undetectable
4uh2B-5bs1A:
undetectable		 4uh2A-5bs1A:
14.45
4uh2B-5bs1A:
14.45
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.
4UH5_B_H4BB760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 4uh5A-5bs1A:
undetectable
4uh5B-5bs1A:
undetectable		 4uh5A-5bs1A:
15.97
4uh5B-5bs1A:
15.97
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.
4UPM_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 4upmA-5bs1A:
undetectable
4upmB-5bs1A:
undetectable		 4upmA-5bs1A:
14.45
4upmB-5bs1A:
14.45
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.
4UPM_B_H4BB760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 4upmA-5bs1A:
undetectable
4upmB-5bs1A:
undetectable		 4upmA-5bs1A:
14.45
4upmB-5bs1A:
14.45
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.
4UPN_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 4upnA-5bs1A:
undetectable
4upnB-5bs1A:
undetectable		 4upnA-5bs1A:
14.45
4upnB-5bs1A:
14.45
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.
4UPO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4upoA-5bs1A:
undetectable
4upoB-5bs1A:
undetectable		 4upoA-5bs1A:
14.45
4upoB-5bs1A:
14.45
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.
4UPP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4uppA-5bs1A:
undetectable
4uppB-5bs1A:
undetectable		 4uppA-5bs1A:
14.45
4uppB-5bs1A:
14.45
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.
4V3U_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 4v3uA-5bs1A:
undetectable
4v3uB-5bs1A:
undetectable		 4v3uA-5bs1A:
16.01
4v3uB-5bs1A:
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.
4V3V_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4v3vA-5bs1A:
undetectable
4v3vB-5bs1A:
undetectable		 4v3vA-5bs1A:
14.45
4v3vB-5bs1A:
14.45
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.
4V3V_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 4v3vA-5bs1A:
undetectable
4v3vB-5bs1A:
undetectable		 4v3vA-5bs1A:
14.45
4v3vB-5bs1A:
14.45
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.
4V3Y_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4v3yA-5bs1A:
undetectable
4v3yB-5bs1A:
undetectable		 4v3yA-5bs1A:
14.45
4v3yB-5bs1A:
14.45
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.
4X1K_D_LOCD502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 4rf7 ARGININE KINASE
(Anthopleura
japonica) 		4 / 4 ASN A 278
SER A 134
ALA A 132
VAL A 131
 ARG  A 805 ( 4.6A)
None
None
None
 1.29A 4x1kC-4rf7A:
undetectable		 4x1kC-4rf7A:
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.
4X3U_B_SVRB102_1
(CHROMOBOX PROTEIN
HOMOLOG 7)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		3 / 3 LYS A 186
ARG A 152
VAL A 174
 ASN  A 186 ( 0.0A)
ARG  A 152 ( 0.6A)
VAL  A 174 ( 0.6A)
 0.88A 4x3uA-5d7aA:
undetectable
4x3uB-5d7aA:
undetectable		 4x3uA-5d7aA:
10.97
4x3uB-5d7aA:
10.97
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.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		3 / 3 ASP A 731
ARG A 349
ARG A 354
 ASP  A 731 ( 0.6A)
ARG  A 349 ( 0.6A)
ARG  A 354 ( 0.6A)
 0.96A 4x5iA-1v0fA:
0.0		 4x5iA-1v0fA:
15.33
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.
4XK8_A_PQNA845_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 1aoa T-FIMBRIN
(Homo
sapiens) 		4 / 8 ARG A 220
ALA A 216
LEU A 219
GLY A 161
 ARG  A 220 ( 0.6A)
ALA  A 216 ( 0.0A)
LEU  A 219 ( 0.6A)
GLY  A 161 ( 0.0A)
 0.91A 4xk8a-1aoaA:
undetectable		 4xk8a-1aoaA:
16.19
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.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 6 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.92A 4xqeA-1wqaA:
undetectable		 4xqeA-1wqaA:
22.67
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.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		 5wm9 RV0078
(Mycobacterium
tuberculosis) 		4 / 6 ARG A  76
ARG A  24
ASP A 106
VAL A  68
 ARG  A  76 ( 0.6A)
ARG  A  24 ( 0.6A)
ASP  A 106 ( 0.6A)
VAL  A  68 ( 0.6A)
 1.33A 4xqeA-5wm9A:
undetectable		 4xqeA-5wm9A:
10.63
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 6 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.96A 4xqeB-1wqaA:
undetectable		 4xqeB-1wqaA:
22.67
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.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 5wm9 RV0078
(Mycobacterium
tuberculosis) 		4 / 6 ARG A  76
ARG A  24
ASP A 106
VAL A  68
 ARG  A  76 ( 0.6A)
ARG  A  24 ( 0.6A)
ASP  A 106 ( 0.6A)
VAL  A  68 ( 0.6A)
 1.33A 4xqeB-5wm9A:
undetectable		 4xqeB-5wm9A:
10.63
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 8 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.97A 4xqgA-1wqaA:
undetectable		 4xqgA-1wqaA:
22.29
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 5gru DIABODY PROTEIN
(Mus
musculus) 		4 / 8 ARG L  67
VAL L  86
ASP L  89
ASP L  90
 ARG  L  67 ( 0.6A)
VAL  L  86 ( 0.6A)
ASP  L  89 ( 0.6A)
ASP  L  90 ( 0.6A)
 0.90A 4xqgA-5gruL:
undetectable		 4xqgA-5gruL:
17.81
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.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 8 ARG A  11
ARG A  51
ASP A 245
VAL A  10
 ARG  A  11 ( 0.6A)
ARG  A  51 ( 0.6A)
ASP  A 245 (-0.6A)
VAL  A  10 ( 0.6A)
 0.96A 4xqgB-1wqaA:
undetectable		 4xqgB-1wqaA:
22.29
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.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 5gru DIABODY PROTEIN
(Mus
musculus) 		4 / 8 ARG L  67
VAL L  86
ASP L  89
ASP L  90
 ARG  L  67 ( 0.6A)
VAL  L  86 ( 0.6A)
ASP  L  89 ( 0.6A)
ASP  L  90 ( 0.6A)
 0.89A 4xqgB-5gruL:
undetectable		 4xqgB-5gruL:
17.81
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.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)		 5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7
(Homo
sapiens) 		3 / 3 VAL A 685
PHE A 688
ARG A 634
 VAL  A 685 ( 0.6A)
PHE  A 688 ( 1.3A)
ARG  A 634 ( 0.6A)
 0.71A 4xr4B-5c6dA:
undetectable		 4xr4B-5c6dA:
20.37
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.
4XV2_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		4 / 4 GLY A  38
VAL A 317
PHE A 230
ILE A 234
 None
ARG  A 501 (-4.7A)
None
ARG  A 501 (-3.7A)
 1.13A 4xv2B-6f34A:
undetectable		 4xv2B-6f34A:
14.59
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.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		 4i62 AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING
PROTEIN, PUTATIVE
(Streptococcus
pneumoniae) 		4 / 7 SER A 109
SER A 158
PHE A  48
GLU A 197
 ARG  A 301 (-2.8A)
ARG  A 301 (-4.8A)
ARG  A 301 (-3.4A)
ARG  A 301 (-2.7A)
 1.20A 4xzkA-4i62A:
undetectable		 4xzkA-4i62A:
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.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 12 PRO A 196
THR A 197
ARG A  94
SER A 208
GLY A 200
 PRO  A 196 ( 1.1A)
THR  A 197 ( 0.8A)
ARG  A  94 ( 0.6A)
SER  A 208 ( 0.0A)
GLY  A 200 ( 0.0A)
 1.29A 4ydqB-3wd7A:
undetectable		 4ydqB-3wd7A:
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.
4YO9_B_ACTB401_0
(3C-LIKE PROTEINASE)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		3 / 3 ARG A  61
ASP A  59
TYR A 302
 ARG  A  61 ( 0.6A)
ASP  A  59 ( 0.6A)
TYR  A 302 ( 1.3A)
 0.83A 4yo9B-4yzrA:
undetectable		 4yo9B-4yzrA:
20.34
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.
4YV5_A_SVRA205_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 3s6f HYPOTHETICAL
ACETYLTRANSFERASE
(Deinococcus
radiodurans) 		4 / 6 LEU A  66
ASN A  64
PRO A  76
ARG A 134
 LEU  A  66 ( 0.5A)
ASN  A  64 ( 0.6A)
PRO  A  76 ( 1.1A)
ARG  A 134 ( 0.6A)
 1.27A 4yv5B-3s6fA:
undetectable		 4yv5B-3s6fA:
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.
4YV5_B_SVRB207_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 3s6f HYPOTHETICAL
ACETYLTRANSFERASE
(Deinococcus
radiodurans) 		4 / 6 LEU A  66
ASN A  64
PRO A  76
ARG A 134
 LEU  A  66 ( 0.5A)
ASN  A  64 ( 0.6A)
PRO  A  76 ( 1.1A)
ARG  A 134 ( 0.6A)
 1.27A 4yv5A-3s6fA:
undetectable		 4yv5A-3s6fA:
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.
4Z2E_F_TR6F101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		 5nh2 UNCHARACTERIZED
PROTEIN
(Bartonella
henselae) 		4 / 5 GLY B  53
ARG B  52
GLY B  49
GLU B  48
 GLY  B  53 ( 0.0A)
ARG  B  52 ( 0.6A)
GLY  B  49 ( 0.0A)
GLU  B  48 ( 0.6A)
 1.17A 4z2eB-5nh2B:
undetectable
4z2eC-5nh2B:
undetectable		 4z2eB-5nh2B:
10.20
4z2eC-5nh2B:
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.
4Z53_F_TR6F101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		4 / 6 GLY A 230
ASP A 227
GLY A 218
ARG A 247
 GLY  A 230 ( 0.0A)
ASP  A 227 ( 0.5A)
GLY  A 218 ( 0.0A)
ARG  A 247 ( 0.6A)
 0.92A 4z53A-2j5bA:
undetectable
4z53B-2j5bA:
1.8		 4z53A-2j5bA:
17.36
4z53B-2j5bA:
17.36
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.
4ZBQ_A_ACTA605_0
(SERUM ALBUMIN)		 3gwm HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 HIS A  80
GLY A  78
GLU A  29
ARG A  81
 HIS  A  80 (-1.0A)
GLY  A  78 (-0.0A)
GLU  A  29 (-0.5A)
ARG  A  81 (-0.6A)
 1.30A 4zbqA-3gwmA:
undetectable		 4zbqA-3gwmA:
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.
4ZBR_A_ACTA608_0
(SERUM ALBUMIN)		 2ixq PROTEIN AFAD
(Escherichia
coli) 		3 / 3 LYS A  57
ARG A  60
HIS A  61
 LYS  A  57 ( 0.0A)
ARG  A  60 ( 0.6A)
HIS  A  61 ( 1.0A)
 1.06A 4zbrA-2ixqA:
undetectable		 4zbrA-2ixqA:
12.52
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.
4ZZ8_A_GCSA208_1
(GLUCANASE/CHITOSANAS
E)		 4xfj ARGININOSUCCINATE
SYNTHASE
(Mycolicibacteriu
m
thermoresistibil
e) 		4 / 7 GLU A 260
TYR A  87
ASP A 177
ALA A 184
 ARG  A 503 (-3.1A)
None
ANP  A 501 (-4.6A)
ARG  A 503 ( 3.9A)
 0.97A 4zz8A-4xfjA:
undetectable		 4zz8A-4xfjA:
18.48
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.
4ZZB_C_ACTC401_0
(PROTON-GATED ION
CHANNEL)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		4 / 7 ILE A 506
ARG A 499
VAL A 497
GLU A 478
 ILE  A 506 ( 0.7A)
ARG  A 499 ( 0.6A)
VAL  A 497 ( 0.6A)
GLU  A 478 ( 0.6A)
 0.93A 4zzbC-5gprA:
undetectable
4zzbD-5gprA:
undetectable		 4zzbC-5gprA:
20.43
4zzbD-5gprA:
20.43
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.
5A06_C_SORC1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1f7u ARGINYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		4 / 7 ARG A 358
ARG A 270
ASP A 191
TYR A 188
 ARG  A 800 ( 4.6A)
None
None
ARG  A 800 (-4.0A)
 1.49A 5a06C-1f7uA:
2.9		 5a06C-1f7uA:
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.
5A06_D_SORD1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1f7u ARGINYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		4 / 7 ARG A 358
ARG A 270
ASP A 191
TYR A 188
 ARG  A 800 ( 4.6A)
None
None
ARG  A 800 (-4.0A)
 1.50A 5a06D-1f7uA:
2.8		 5a06D-1f7uA:
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.
5A06_D_SORD1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		4 / 5 ARG A 107
HIS A 274
ALA A 270
GLU A 268
 ARG  A 107 (-0.6A)
HIS  A 274 (-1.0A)
ALA  A 270 ( 0.0A)
GLU  A 268 (-0.6A)
 1.41A 5a06C-4dlkA:
undetectable
5a06D-4dlkA:
undetectable		 5a06C-4dlkA:
21.81
5a06D-4dlkA:
21.81
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.
5A06_D_SORD1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 5 ALA A 216
ARG A 292
HIS A 183
ALA A 184
 ALA  A 216 ( 0.0A)
ARG  A 292 ( 0.6A)
HIS  A 183 (-1.0A)
ALA  A 184 ( 0.0A)
 1.26A 5a06C-4kqnA:
2.4
5a06D-4kqnA:
2.0		 5a06C-4kqnA:
21.91
5a06D-4kqnA:
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.
5A06_E_SORE1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1f7u ARGINYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		4 / 7 ARG A 358
ARG A 270
ASP A 191
TYR A 188
 ARG  A 800 ( 4.6A)
None
None
ARG  A 800 (-4.0A)
 1.49A 5a06E-1f7uA:
2.6		 5a06E-1f7uA:
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.
5A06_E_SORE1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 5lt9 METHYL-ACCEPTING
CHEMOTAXIS PROTEIN
PCTB
(Pseudomonas
aeruginosa) 		4 / 7 ARG A 126
ASP A 173
TYR A 144
TYR A 121
 ARG  A 301 (-3.8A)
ARG  A 301 (-3.1A)
ARG  A 301 (-4.6A)
ARG  A 301 (-4.4A)
 1.40A 5a06E-5lt9A:
undetectable		 5a06E-5lt9A:
21.37
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.
5A06_F_SORF1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		4 / 4 ARG A  34
HIS A  10
ALA A  12
GLU A  18
 ARG  A  34 ( 0.6A)
HIS  A  10 ( 1.0A)
ALA  A  12 ( 0.0A)
GLU  A  18 ( 0.5A)
 1.34A 5a06A-3r9rA:
0.0
5a06F-3r9rA:
0.0		 5a06A-3r9rA:
22.82
5a06F-3r9rA:
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.
5A06_F_SORF1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		4 / 4 ARG A 107
HIS A 274
ALA A 270
GLU A 268
 ARG  A 107 (-0.6A)
HIS  A 274 (-1.0A)
ALA  A 270 ( 0.0A)
GLU  A 268 (-0.6A)
 1.34A 5a06A-4dlkA:
undetectable
5a06F-4dlkA:
1.2		 5a06A-4dlkA:
21.81
5a06F-4dlkA:
21.81
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.
5A06_F_SORF1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 1f7u ARGINYL-TRNA
SYNTHETASE
(Saccharomyces
cerevisiae) 		4 / 7 ARG A 358
ARG A 270
ASP A 191
TYR A 188
 ARG  A 800 ( 4.6A)
None
None
ARG  A 800 (-4.0A)
 1.47A 5a06F-1f7uA:
2.4		 5a06F-1f7uA:
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.
5AD4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.33A 5ad4A-5bs1A:
undetectable
5ad4B-5bs1A:
undetectable		 5ad4A-5bs1A:
14.45
5ad4B-5bs1A:
14.45
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.
5AD4_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5ad4A-5bs1A:
undetectable
5ad4B-5bs1A:
undetectable		 5ad4A-5bs1A:
14.45
5ad4B-5bs1A:
14.45
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.
5AD6_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.33A 5ad6A-5bs1A:
undetectable
5ad6B-5bs1A:
undetectable		 5ad6A-5bs1A:
14.45
5ad6B-5bs1A:
14.45
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.
5AD9_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.35A 5ad9A-5bs1A:
undetectable
5ad9B-5bs1A:
undetectable		 5ad9A-5bs1A:
14.45
5ad9B-5bs1A:
14.45
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.
5ADA_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5adaA-5bs1A:
undetectable
5adaB-5bs1A:
undetectable		 5adaA-5bs1A:
14.45
5adaB-5bs1A:
14.45
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.
5ADA_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 5adaA-5bs1A:
undetectable
5adaB-5bs1A:
undetectable		 5adaA-5bs1A:
14.45
5adaB-5bs1A:
14.45
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.
5ADC_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5adcA-5bs1A:
undetectable
5adcB-5bs1A:
undetectable		 5adcA-5bs1A:
14.45
5adcB-5bs1A:
14.45
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.
5ADF_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5adfA-5bs1A:
undetectable
5adfB-5bs1A:
undetectable		 5adfA-5bs1A:
15.97
5adfB-5bs1A:
15.97
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.
5ADG_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5adgA-5bs1A:
undetectable
5adgB-5bs1A:
undetectable		 5adgA-5bs1A:
15.97
5adgB-5bs1A:
15.97
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.
5ADG_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5adgA-5bs1A:
undetectable
5adgB-5bs1A:
undetectable		 5adgA-5bs1A:
15.97
5adgB-5bs1A:
15.97
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.
5ADI_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5adiA-5bs1A:
undetectable
5adiB-5bs1A:
undetectable		 5adiA-5bs1A:
15.97
5adiB-5bs1A:
15.97
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.
5AGK_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5agkA-5bs1A:
undetectable
5agkB-5bs1A:
undetectable		 5agkA-5bs1A:
14.45
5agkB-5bs1A:
14.45
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.
5AGL_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 5aglA-5bs1A:
undetectable
5aglB-5bs1A:
undetectable		 5aglA-5bs1A:
14.45
5aglB-5bs1A:
14.45
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.
5AGL_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 5aglA-5bs1A:
undetectable
5aglB-5bs1A:
undetectable		 5aglA-5bs1A:
14.45
5aglB-5bs1A:
14.45
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.
5AGM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5agmA-5bs1A:
undetectable
5agmB-5bs1A:
undetectable		 5agmA-5bs1A:
14.45
5agmB-5bs1A:
14.45
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.
5AGO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5agoA-5bs1A:
undetectable
5agoB-5bs1A:
undetectable		 5agoA-5bs1A:
14.45
5agoB-5bs1A:
14.45
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.
5AGO_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 5agoA-5bs1A:
undetectable
5agoB-5bs1A:
undetectable		 5agoA-5bs1A:
14.45
5agoB-5bs1A:
14.45
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.
5B1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.95A 5b1bP-4flxA:
2.7
5b1bW-4flxA:
undetectable		 5b1bP-4flxA:
13.49
5b1bW-4flxA:
6.62
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.
5B2T_A_ACTA108_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9
GUIDE RNA)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		3 / 3 VAL A 260
THR A 262
ARG A 303
 VAL  A 260 ( 0.6A)
THR  A 262 ( 0.8A)
ARG  A 303 ( 0.6A)
 0.74A 5b2tB-5cdnA:
undetectable		 5b2tB-5cdnA:
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.
5BS8_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3c3n DIHYDROOROTATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 7 ALA A  14
ARG A 286
GLY A 282
GLU A 279
 ALA  A  14 ( 0.0A)
ARG  A 286 ( 0.6A)
GLY  A 282 ( 0.0A)
GLU  A 279 ( 0.5A)
 0.86A 5bs8A-3c3nA:
undetectable
5bs8C-3c3nA:
undetectable
5bs8D-3c3nA:
undetectable		 5bs8A-3c3nA:
20.95
5bs8C-3c3nA:
20.95
5bs8D-3c3nA:
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.
5BS8_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3c3n DIHYDROOROTATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 7 ALA A  14
ARG A 286
GLY A 282
GLU A 279
 ALA  A  14 ( 0.0A)
ARG  A 286 ( 0.6A)
GLY  A 282 ( 0.0A)
GLU  A 279 ( 0.5A)
 0.85A 5bs8A-3c3nA:
undetectable
5bs8B-3c3nA:
undetectable
5bs8C-3c3nA:
undetectable		 5bs8A-3c3nA:
20.95
5bs8B-3c3nA:
21.00
5bs8C-3c3nA:
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.
5BS8_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		4 / 7 ALA B  49
ARG B 309
GLY B 313
GLU B 314
 ALA  B  49 ( 0.0A)
ARG  B 309 ( 0.6A)
GLY  B 313 ( 0.0A)
GLU  B 314 ( 0.5A)
 0.96A 5bs8A-4oudB:
undetectable
5bs8B-4oudB:
2.9
5bs8C-4oudB:
undetectable		 5bs8A-4oudB:
22.39
5bs8B-4oudB:
22.14
5bs8C-4oudB:
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3c3n DIHYDROOROTATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 7 ALA A  14
ARG A 286
GLY A 282
GLU A 279
 ALA  A  14 ( 0.0A)
ARG  A 286 ( 0.6A)
GLY  A 282 ( 0.0A)
GLU  A 279 ( 0.5A)
 0.88A 5btdA-3c3nA:
undetectable
5btdB-3c3nA:
undetectable
5btdC-3c3nA:
undetectable		 5btdA-3c3nA:
20.95
5btdB-3c3nA:
21.00
5btdC-3c3nA:
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.
5BTD_E_GFNE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		4 / 7 ALA B  49
ARG B 309
GLY B 313
GLU B 314
 ALA  B  49 ( 0.0A)
ARG  B 309 ( 0.6A)
GLY  B 313 ( 0.0A)
GLU  B 314 ( 0.5A)
 0.96A 5btdA-4oudB:
undetectable
5btdB-4oudB:
3.0
5btdC-4oudB:
undetectable		 5btdA-4oudB:
22.39
5btdB-4oudB:
22.14
5btdC-4oudB:
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		4 / 7 ALA A 388
ASP A 221
ARG A 223
GLU A  45
 ALA  A 388 ( 0.0A)
ASP  A 221 ( 0.6A)
ARG  A 223 (-0.6A)
GLU  A  45 ( 0.6A)
 0.93A 5btdA-1rrvA:
0.0
5btdC-1rrvA:
undetectable
5btdD-1rrvA:
2.3		 5btdA-1rrvA:
25.98
5btdC-1rrvA:
25.98
5btdD-1rrvA:
22.76
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3c3n DIHYDROOROTATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 7 ALA A  14
ARG A 286
GLY A 282
GLU A 279
 ALA  A  14 ( 0.0A)
ARG  A 286 ( 0.6A)
GLY  A 282 ( 0.0A)
GLU  A 279 ( 0.5A)
 0.89A 5btdA-3c3nA:
undetectable
5btdC-3c3nA:
undetectable
5btdD-3c3nA:
undetectable		 5btdA-3c3nA:
20.95
5btdC-3c3nA:
20.95
5btdD-3c3nA:
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.
5BTD_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4oud TYROSYL-TRNA
SYNTHETASE
(Escherichia
coli) 		4 / 7 ALA B  49
ARG B 309
GLY B 313
GLU B 314
 ALA  B  49 ( 0.0A)
ARG  B 309 ( 0.6A)
GLY  B 313 ( 0.0A)
GLU  B 314 ( 0.5A)
 0.98A 5btdA-4oudB:
undetectable
5btdC-4oudB:
undetectable
5btdD-4oudB:
2.8		 5btdA-4oudB:
22.39
5btdC-4oudB:
22.39
5btdD-4oudB:
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4kqn D-HYDANTOINASE
(Bacillus
sp.
AR9) 		4 / 7 SER A 233
ASP A 163
ARG A 223
GLU A 219
 SER  A 233 ( 0.0A)
ASP  A 163 ( 0.6A)
ARG  A 223 ( 0.6A)
GLU  A 219 ( 0.6A)
 1.11A 5btfA-4kqnA:
undetectable
5btfC-4kqnA:
undetectable
5btfD-4kqnA:
undetectable		 5btfA-4kqnA:
22.00
5btfC-4kqnA:
22.00
5btfD-4kqnA:
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.
5BTG_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3c3n DIHYDROOROTATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 6 ALA A  14
ARG A 286
GLY A 282
GLU A 279
 ALA  A  14 ( 0.0A)
ARG  A 286 ( 0.6A)
GLY  A 282 ( 0.0A)
GLU  A 279 ( 0.5A)
 0.89A 5btgA-3c3nA:
undetectable
5btgB-3c3nA:
undetectable
5btgC-3c3nA:
undetectable		 5btgA-3c3nA:
20.95
5btgB-3c3nA:
21.00
5btgC-3c3nA:
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.
5BTG_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3c3n DIHYDROOROTATE
DEHYDROGENASE
(Trypanosoma
cruzi) 		4 / 7 ALA A  14
ARG A 286
GLY A 282
GLU A 279
 ALA  A  14 ( 0.0A)
ARG  A 286 ( 0.6A)
GLY  A 282 ( 0.0A)
GLU  A 279 ( 0.5A)
 0.92A 5btgA-3c3nA:
undetectable
5btgC-3c3nA:
undetectable
5btgD-3c3nA:
undetectable		 5btgA-3c3nA:
20.95
5btgC-3c3nA:
20.95
5btgD-3c3nA:
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.
5CPR_B_SAMB402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 2flq NITRIC OXIDE
SYNTHASE
(Geobacillus
stearothermophil
us) 		3 / 3 HIS A 134
SER A 152
ASN A 253
 None
None
ARG  A 376 (-2.9A)
 0.89A 5cprB-2flqA:
undetectable		 5cprB-2flqA:
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.
5CZY_A_SAMA603_0
(LEGIONELLA EFFECTOR
LEGAS4)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		5 / 12 LEU A 640
ARG A 672
TYR A 670
TYR A 592
LEU A 607
 LEU  A 640 ( 0.5A)
ARG  A 672 ( 0.6A)
TYR  A 670 ( 1.3A)
TYR  A 592 ( 1.3A)
LEU  A 607 ( 0.5A)
 1.33A 5czyA-1v0fA:
undetectable		 5czyA-1v0fA:
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 10 LEU A 222
ALA A 113
GLU A 116
ARG A 234
LEU A 187
 LEU  A 222 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 116 ( 0.5A)
ARG  A 234 ( 0.6A)
LEU  A 187 ( 0.5A)
 1.23A 5dxbA-3wd7A:
undetectable		 5dxbA-3wd7A:
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.
5DZK_2_BEZ2801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 4 LEU A 363
ARG A 257
ILE A 364
ILE A 259
 LEU  A 363 ( 0.6A)
ARG  A 257 ( 0.6A)
ILE  A 364 ( 0.7A)
ILE  A 259 ( 0.4A)
 1.38A 5dzk2-1wqaA:
undetectable
5dzkM-1wqaA:
undetectable
5dzkN-1wqaA:
undetectable		 5dzk2-1wqaA:
5.88
5dzkM-1wqaA:
18.86
5dzkN-1wqaA:
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.
5DZK_V_BEZV801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 4 ILE A 364
ILE A 259
ARG A 257
LEU A 363
 ILE  A 364 ( 0.7A)
ILE  A 259 ( 0.4A)
ARG  A 257 ( 0.6A)
LEU  A 363 ( 0.6A)
 1.30A 5dzkh-1wqaA:
undetectable
5dzkn-1wqaA:
undetectable
5dzkv-1wqaA:
undetectable		 5dzkh-1wqaA:
18.86
5dzkn-1wqaA:
18.86
5dzkv-1wqaA:
5.88
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.
5DZK_V_BEZV801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE
(Homo
sapiens) 		4 / 4 ILE A 322
ILE A 278
ARG A 282
LEU A 323
 ILE  A 322 ( 0.6A)
ILE  A 278 ( 0.6A)
ARG  A 282 ( 0.6A)
LEU  A 323 ( 0.6A)
 1.16A 5dzkh-5ec3A:
undetectable
5dzkn-5ec3A:
undetectable
5dzkv-5ec3A:
undetectable		 5dzkh-5ec3A:
19.05
5dzkn-5ec3A:
19.05
5dzkv-5ec3A:
1.18
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 2y7i STM4351
(Salmonella
enterica) 		5 / 12 PRO A  35
HIS A 140
GLY A 176
ASP A  91
TYR A  36
 None
ARG  A1245 (-4.3A)
None
ARG  A1245 (-3.7A)
None
 1.32A 5eeiA-2y7iA:
undetectable		 5eeiA-2y7iA:
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 2y7i STM4351
(Salmonella
enterica) 		5 / 12 PRO A  35
HIS A 140
GLY A 176
ASP A  91
TYR A  36
 None
ARG  A1245 (-4.3A)
None
ARG  A1245 (-3.7A)
None
 1.31A 5eeiB-2y7iA:
undetectable		 5eeiB-2y7iA:
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.
5EIW_C_SAMC4000_0
(NS5
METHYLTRANSFERASE)		 1pq5 TRYPSIN
(Fusarium
oxysporum) 		6 / 12 GLY A 139
GLY A  43
GLY A 196
GLY A 193
THR A  53
VAL A  51
 None
None
None
ARG  A 703 (-3.6A)
None
None
 1.31A 5eiwC-1pq5A:
undetectable		 5eiwC-1pq5A:
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.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 4bhl ARGININE KINASE
(Litopenaeus
vannamei) 		4 / 6 TYR A  89
TYR A  75
GLY A  66
ASP A  62
 None
None
ARG  A 400 (-3.8A)
None
 1.16A 5emlA-4bhlA:
undetectable		 5emlA-4bhlA:
20.93
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.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 4rf7 ARGININE KINASE
(Anthopleura
japonica) 		4 / 6 TYR A  93
TYR A  79
GLY A  70
ASP A  66
 None
None
ARG  A 805 (-3.8A)
None
 1.13A 5emlA-4rf7A:
undetectable		 5emlA-4rf7A:
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.
5EUM_B_ACTB603_0
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		 5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE
(Homo
sapiens) 		4 / 4 ALA A 316
ASN A 313
ARG A 279
ILE A 275
 ALA  A 316 ( 0.0A)
ASN  A 313 ( 0.6A)
ARG  A 279 ( 0.6A)
ILE  A 275 ( 0.7A)
 1.16A 5eumB-5ec3A:
undetectable		 5eumB-5ec3A:
23.08
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.
5EWU_B_BEZB1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 6daw NON-HEME IRON
HYDROXYLASE
(Streptomyces
lusitanus) 		4 / 6 GLY A 173
THR A 172
VAL A 174
HIS A 146
 None
ACT  A 403 (-2.9A)
None
ARG  A 402 (-3.2A)
 0.94A 5ewuB-6dawA:
undetectable		 5ewuB-6dawA:
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.
5FVO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4oby ARGININE--TRNA
LIGASE
(Escherichia
coli) 		3 / 3 ARG A 324
VAL A 352
TRP A 349
 ARG  A 601 ( 4.6A)
None
None
 1.23A 5fvoA-4obyA:
1.9		 5fvoA-4obyA:
20.30
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.
5FVO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4rf7 ARGININE KINASE
(Anthopleura
japonica) 		3 / 3 ARG A 128
VAL A 224
TRP A 225
 ARG  A 806 (-4.3A)
None
None
 0.91A 5fvoA-4rf7A:
undetectable		 5fvoA-4rf7A:
20.94
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.
5FVR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5fvrA-5bs1A:
undetectable
5fvrB-5bs1A:
undetectable		 5fvrA-5bs1A:
14.45
5fvrB-5bs1A:
14.45
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.
5FVR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.26A 5fvrA-5bs1A:
undetectable
5fvrB-5bs1A:
undetectable		 5fvrA-5bs1A:
14.45
5fvrB-5bs1A:
14.45
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.
5FVW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5fvwA-5bs1A:
undetectable
5fvwB-5bs1A:
undetectable		 5fvwA-5bs1A:
15.97
5fvwB-5bs1A:
15.97
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.
5FVW_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5fvwA-5bs1A:
undetectable
5fvwB-5bs1A:
undetectable		 5fvwA-5bs1A:
15.97
5fvwB-5bs1A:
15.97
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.
5FW0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5fw0A-5bs1A:
undetectable
5fw0B-5bs1A:
undetectable		 5fw0A-5bs1A:
14.45
5fw0B-5bs1A:
14.45
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.
5FW0_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5fw0A-5bs1A:
undetectable
5fw0B-5bs1A:
undetectable		 5fw0A-5bs1A:
14.45
5fw0B-5bs1A:
14.45
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.
5G0O_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.27A 5g0oA-5bs1A:
undetectable
5g0oB-5bs1A:
undetectable		 5g0oA-5bs1A:
14.45
5g0oB-5bs1A:
14.45
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.
5G6C_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		3 / 3 ARG A 364
THR A 358
TRP A 362
 ARG  A 364 ( 0.6A)
THR  A 358 ( 0.8A)
TRP  A 362 ( 0.5A)
 1.11A 5g6cA-2ogsA:
undetectable		 5g6cA-2ogsA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GQB_A_GCSA603_1
(CHITINASE)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		8 / 8 PHE A 184
GLY A 267
TRP A 268
GLU A 308
TYR A 383
ASP A 384
ARG A 439
TRP A 532
 PHE  A 184 ( 1.3A)
GLY  A 267 ( 0.0A)
TRP  A 268 ( 0.5A)
GLU  A 308 ( 0.6A)
TYR  A 383 ( 1.3A)
ASP  A 384 ( 0.5A)
ARG  A 439 ( 0.6A)
TRP  A 532 ( 0.5A)
 0.27A 5gqbA-5gprA:
67.9		 5gqbA-5gprA:
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.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		3 / 3 ARG A 210
ASN A 287
ASP A 294
 ARG  A 210 ( 0.6A)
ASN  A 287 ( 0.6A)
ASP  A 294 ( 0.6A)
 0.78A 5gwxA-3r6yA:
undetectable		 5gwxA-3r6yA:
20.84
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.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		5 / 12 PHE A 222
LEU A 387
ILE A 210
ARG A 258
LEU A 392
 PHE  A 222 ( 1.3A)
LEU  A 387 ( 0.6A)
ILE  A 210 ( 0.7A)
ARG  A 258 ( 0.6A)
LEU  A 392 ( 0.5A)
 1.17A 5h8tA-4iknA:
undetectable		 5h8tA-4iknA:
20.47
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.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 2y7i STM4351
(Salmonella
enterica) 		5 / 12 ASP A 177
ALA A 112
PHE A 175
GLY A 133
GLU A 135
 ARG  A1245 (-3.1A)
None
None
None
ARG  A1245 (-2.9A)
 1.21A 5hfjC-2y7iA:
undetectable		 5hfjC-2y7iA:
19.26
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.
5HP1_A_PPFA602_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 3ghg FIBRINOGEN GAMMA
CHAIN
(Homo
sapiens) 		4 / 6 ARG C 247
ASP C 285
GLY C 284
ASP C 261
 ARG  C 247 ( 0.6A)
ASP  C 285 ( 0.6A)
GLY  C 284 ( 0.0A)
ASP  C 261 ( 0.6A)
 1.34A 5hp1A-3ghgC:
undetectable		 5hp1A-3ghgC:
22.28
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.
5HW8_H_FK5H201_1
(FK506-BINDING
PROTEIN 1)		 4zv1 ANCQR
(synthetic
construct) 		4 / 8 ASP A 167
PHE A 149
VAL A 101
ILE A 185
 ARG  A 301 (-2.9A)
None
None
None
 0.84A 5hw8H-4zv1A:
undetectable		 5hw8H-4zv1A:
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.
5HWA_A_GCSA302_1
(CHITOSANASE)		 2y7i STM4351
(Salmonella
enterica) 		4 / 7 THR A 139
ASP A  91
TYR A  33
GLY A  89
 ARG  A1245 (-3.4A)
ARG  A1245 (-3.7A)
ARG  A1245 (-3.8A)
ARG  A1245 (-4.7A)
 1.01A 5hwaA-2y7iA:
undetectable		 5hwaA-2y7iA:
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.
5IY5_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 5 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.94A 5iy5P-4flxA:
2.6
5iy5W-4flxA:
undetectable		 5iy5P-4flxA:
13.43
5iy5W-4flxA:
6.89
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.
5K50_A_ACTA1403_0
(L-THREONINE
3-DEHYDROGENASE)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		4 / 5 MET A 322
SER A 321
GLY A 117
ALA A 119
 None
ARG  A 501 (-3.4A)
None
ARG  A 501 (-3.3A)
 0.93A 5k50A-6f34A:
undetectable		 5k50A-6f34A:
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.
5K7U_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 4i62 AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING
PROTEIN, PUTATIVE
(Streptococcus
pneumoniae) 		3 / 3 ASP A 166
ASN A 129
GLN A 160
 None
None
ARG  A 301 (-3.7A)
 0.68A 5k7uA-4i62A:
undetectable		 5k7uA-4i62A:
20.53
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.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE
(Flavobacterium
psychrophilum) 		3 / 3 LYS A 203
ASP A 209
ILE A 691
 ARG  A 801 ( 4.5A)
None
None
 0.91A 5kc4E-5jxfA:
2.8		 5kc4E-5jxfA:
13.15
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.
5KKZ_K_ASCK1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		4 / 7 HIS A 319
ILE A 320
VAL A 323
ARG A 325
 HIS  A 319 ( 1.0A)
ILE  A 320 ( 0.4A)
VAL  A 323 ( 0.6A)
ARG  A 325 ( 0.6A)
 1.16A 5kkzK-4dlkA:
undetectable
5kkzQ-4dlkA:
undetectable		 5kkzK-4dlkA:
21.21
5kkzQ-4dlkA:
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		 6f34 AMINO ACID
TRANSPORTER
(Geobacillus
kaustophilus) 		4 / 6 GLY A 382
GLU A 115
PHE A 385
ILE A 107
 None
ARG  A 501 (-2.8A)
None
None
 0.92A 5kmfA-6f34A:
undetectable
5kmfC-6f34A:
1.6		 5kmfA-6f34A:
12.11
5kmfC-6f34A:
12.11
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.
5KR1_B_017B101_1
(PROTEASE PR5-DRV)		 2rd5 ACETYLGLUTAMATE
KINASE-LIKE PROTEIN
(Arabidopsis
thaliana) 		5 / 10 LEU A 263
ILE A 231
GLY A 292
ILE A 273
ILE A 295
 None
None
ARG  A1000 (-4.4A)
None
None
 1.05A 5kr1A-2rd5A:
undetectable		 5kr1A-2rd5A:
18.90
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.
5L6E_B_ACTB401_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT
N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14)		 6ezy -
(-) 		4 / 6 GLU A  96
ARG A  92
LEU A 163
ARG A  67
 GLU  A  96 ( 0.6A)
ARG  A  92 ( 0.6A)
LEU  A 163 ( 0.6A)
ARG  A  67 ( 0.6A)
 0.87A 5l6eA-6ezyA:
undetectable
5l6eB-6ezyA:
undetectable		 5l6eA-6ezyA:
undetectable
5l6eB-6ezyA:
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.
5LRB_A_ACRA1003_1
(ALPHA-1,4 GLUCAN
PHOSPHORYLASE)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		4 / 6 GLU A 319
PHE A 574
THR A 576
TYR A 575
 ARG  A1101 (-2.9A)
None
None
ARG  A1101 ( 3.8A)
 1.18A 5lrbA-4j3bA:
undetectable		 5lrbA-4j3bA:
22.04
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.
5LRB_A_ACRA1003_1
(ALPHA-1,4 GLUCAN
PHOSPHORYLASE)		 4xmv AMINOPEPTIDASE N
(Escherichia
coli) 		4 / 6 GLU A 121
PHE A 375
THR A 377
TYR A 376
 ARG  A 902 (-3.1A)
None
None
ARG  A 902 ( 3.8A)
 1.21A 5lrbA-4xmvA:
undetectable		 5lrbA-4xmvA:
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.
5M0O_C_EPAC502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		4 / 8 PHE A 110
ARG A 115
ALA A 117
PHE A 260
 PHE  A 110 ( 1.3A)
ARG  A 115 ( 0.6A)
ALA  A 117 ( 0.0A)
PHE  A 260 ( 1.3A)
 1.05A 5m0oC-4hneA:
undetectable		 5m0oC-4hneA:
21.55
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.
5NM5_B_LOCB502_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 4rf7 ARGININE KINASE
(Anthopleura
japonica) 		4 / 4 ASN A 278
SER A 134
ALA A 132
VAL A 131
 ARG  A 805 ( 4.6A)
None
None
None
 1.24A 5nm5A-4rf7A:
undetectable		 5nm5A-4rf7A:
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.
5NZY_A_CE3A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 5m2m LLAMA NANOBODY VHH3
(Lama
glama) 		4 / 7 ASN D  62
ARG D  55
ILE D  56
GLY D  40
 ASN  D  62 ( 0.6A)
ARG  D  55 ( 0.6A)
ILE  D  56 ( 0.6A)
GLY  D  40 ( 0.0A)
 0.92A 5nzyA-5m2mD:
undetectable		 5nzyA-5m2mD:
16.88
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.
5NZY_A_CE3A1102_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		 5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN
(Vibrio
vulnificus) 		4 / 7 PHE A3696
ARG A3629
ILE A3632
GLY A3628
 PHE  A3696 ( 1.3A)
ARG  A3629 ( 0.6A)
ILE  A3632 ( 0.7A)
GLY  A3628 ( 0.0A)
 0.99A 5nzyA-5w6lA:
undetectable		 5nzyA-5w6lA:
14.42
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.
5O96_H_SAMH501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 5hxk ZINC-DEPENDENT
PEPTIDASE
(Thermus
thermophilus) 		5 / 10 ARG A 175
GLY A  39
LEU A  46
LEU A 169
ALA A 164
 ARG  A 175 ( 0.6A)
GLY  A  39 ( 0.0A)
LEU  A  46 ( 0.6A)
LEU  A 169 ( 0.6A)
ALA  A 164 ( 0.0A)
 1.07A 5o96G-5hxkA:
undetectable
5o96H-5hxkA:
undetectable		 5o96G-5hxkA:
21.39
5o96H-5hxkA:
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.
5OV9_A_CVIA608_0
(ACETYLCHOLINESTERASE)		 1b4b ARGININE REPRESSOR
(Geobacillus
stearothermophil
us) 		4 / 7 THR A 127
LEU A  96
THR A 121
VAL A 141
 None
None
ARG  A   1 (-4.7A)
None
 1.05A 5ov9A-1b4bA:
undetectable		 5ov9A-1b4bA:
9.58
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.
5PAH_A_LDPA600_1
(PHENYLALANINE
4-MONOOXYGENASE)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		4 / 4 HIS A 500
HIS A 496
TYR A 580
GLU A 519
 ZN  A1102 ( 3.2A)
ZN  A1102 ( 3.2A)
ARG  A1101 (-4.5A)
ZN  A1102 ( 2.1A)
 1.43A 5pahA-4j3bA:
undetectable		 5pahA-4j3bA:
16.52
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.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		4 / 8 THR A 181
TYR A 180
THR A 176
ARG A 173
 THR  A 181 ( 0.8A)
TYR  A 180 ( 1.3A)
THR  A 176 ( 0.8A)
ARG  A 173 ( 0.6A)
 1.40A 5tzoA-3r9rA:
undetectable		 5tzoA-3r9rA:
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.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		4 / 8 THR A 220
TYR A 219
THR A 203
ARG A 140
 THR  A 220 ( 0.8A)
TYR  A 219 ( 1.3A)
THR  A 203 ( 0.8A)
ARG  A 140 ( 0.6A)
 1.05A 5tzoA-4w65A:
5.6		 5tzoA-4w65A:
24.82
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.
5TZO_B_7V7B202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		4 / 8 THR A 220
TYR A 219
THR A 203
ARG A 140
 THR  A 220 ( 0.8A)
TYR  A 219 ( 1.3A)
THR  A 203 ( 0.8A)
ARG  A 140 ( 0.6A)
 1.04A 5tzoB-4w65A:
5.6		 5tzoB-4w65A:
24.82
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.
5TZO_C_7V7C202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		4 / 8 THR A 220
TYR A 219
THR A 203
ARG A 140
 THR  A 220 ( 0.8A)
TYR  A 219 ( 1.3A)
THR  A 203 ( 0.8A)
ARG  A 140 ( 0.6A)
 1.05A 5tzoC-4w65A:
5.6		 5tzoC-4w65A:
24.82
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.
5UC1_A_486A801_1
(GLUCOCORTICOID
RECEPTOR)		 5x5l ADER
(Acinetobacter
baumannii) 		5 / 12 LEU A 192
GLY A 234
VAL A 230
LEU A 227
ARG A 215
 LEU  A 192 ( 0.6A)
GLY  A 234 ( 0.0A)
VAL  A 230 ( 0.6A)
LEU  A 227 ( 0.6A)
ARG  A 215 ( 0.6A)
 1.17A 5uc1A-5x5lA:
undetectable		 5uc1A-5x5lA:
16.24
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.
5UHD_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 4 ARG A 271
PHE A 209
ASP A 198
LEU A 137
 ARG  A 271 ( 0.6A)
PHE  A 209 ( 1.3A)
ASP  A 198 (-0.6A)
LEU  A 137 ( 0.6A)
 1.45A 5uhdC-5w0aA:
0.3		 5uhdC-5w0aA:
4.73
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.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		 2zfz ARGININE REPRESSOR
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 134
LEU A 101
THR A 142
ILE A 149
THR A  94
 None
None
ARG  A 300 (-4.3A)
None
None
 1.13A 5ujxB-2zfzA:
undetectable		 5ujxB-2zfzA:
20.75
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.
5UNR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 5unrA-5bs1A:
undetectable
5unrB-5bs1A:
undetectable		 5unrA-5bs1A:
14.45
5unrB-5bs1A:
14.45
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.
5UNU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.34A 5unuA-5bs1A:
undetectable
5unuB-5bs1A:
undetectable		 5unuA-5bs1A:
14.45
5unuB-5bs1A:
14.45
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.
5UNU_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.37A 5unuA-5bs1A:
undetectable
5unuB-5bs1A:
undetectable		 5unuA-5bs1A:
14.45
5unuB-5bs1A:
14.45
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.
5UNV_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.34A 5unvA-5bs1A:
undetectable
5unvB-5bs1A:
undetectable		 5unvA-5bs1A:
14.45
5unvB-5bs1A:
14.45
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.
5UNV_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 5unvA-5bs1A:
undetectable
5unvB-5bs1A:
undetectable		 5unvA-5bs1A:
14.45
5unvB-5bs1A:
14.45
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.
5UNW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 5unwA-5bs1A:
undetectable
5unwB-5bs1A:
undetectable		 5unwA-5bs1A:
14.45
5unwB-5bs1A:
14.45
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.
5UNW_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.36A 5unwA-5bs1A:
undetectable
5unwB-5bs1A:
undetectable		 5unwA-5bs1A:
14.45
5unwB-5bs1A:
14.45
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.
5UNY_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5unyA-5bs1A:
undetectable
5unyB-5bs1A:
undetectable		 5unyA-5bs1A:
14.45
5unyB-5bs1A:
14.45
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.
5UNY_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 5unyA-5bs1A:
undetectable
5unyB-5bs1A:
undetectable		 5unyA-5bs1A:
14.45
5unyB-5bs1A:
14.45
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.
5UO0_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.38A 5uo0A-5bs1A:
undetectable
5uo0B-5bs1A:
undetectable		 5uo0A-5bs1A:
14.45
5uo0B-5bs1A:
14.45
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.
5UO1_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5uo1A-5bs1A:
undetectable
5uo1B-5bs1A:
undetectable		 5uo1A-5bs1A:
15.97
5uo1B-5bs1A:
15.97
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.
5UO1_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.27A 5uo1A-5bs1A:
undetectable
5uo1B-5bs1A:
undetectable		 5uo1A-5bs1A:
15.97
5uo1B-5bs1A:
15.97
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.
5UO3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 5uo3A-5bs1A:
undetectable
5uo3B-5bs1A:
undetectable		 5uo3A-5bs1A:
15.97
5uo3B-5bs1A:
15.97
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.
5UO4_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5uo4A-5bs1A:
undetectable
5uo4B-5bs1A:
undetectable		 5uo4A-5bs1A:
15.97
5uo4B-5bs1A:
15.97
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.
5UO5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5uo5A-5bs1A:
undetectable
5uo5B-5bs1A:
undetectable		 5uo5A-5bs1A:
15.97
5uo5B-5bs1A:
15.97
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.
5UO5_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5uo5A-5bs1A:
undetectable
5uo5B-5bs1A:
undetectable		 5uo5A-5bs1A:
15.97
5uo5B-5bs1A:
15.97
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.
5UO6_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 5uo6A-5bs1A:
undetectable
5uo6B-5bs1A:
undetectable		 5uo6A-5bs1A:
15.97
5uo6B-5bs1A:
15.97
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.
5UO7_B_H4BB803_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 5uo7A-5bs1A:
undetectable
5uo7B-5bs1A:
undetectable		 5uo7A-5bs1A:
15.97
5uo7B-5bs1A:
15.97
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.
5UUN_A_ACTA310_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 1rrv GLYCOSYLTRANSFERASE
GTFD
(Amycolatopsis
orientalis) 		3 / 3 GLU A 315
HIS A 316
ARG A 320
 GLU  A 315 ( 0.6A)
HIS  A 316 ( 1.0A)
ARG  A 320 ( 0.6A)
 0.91A 5uunA-1rrvA:
0.6		 5uunA-1rrvA:
22.09
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.
5V1S_A_SAMA604_0
(RADICAL SAM)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 9 THR A 539
SER A 530
ASN A 527
VAL A 523
TYR A 580
 None
None
None
None
ARG  A1101 (-4.5A)
 1.41A 5v1sA-4j3bA:
0.0		 5v1sA-4j3bA:
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.
5V1S_B_SAMB604_0
(RADICAL SAM)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 9 THR A 539
SER A 530
ASN A 527
VAL A 523
TYR A 580
 None
None
None
None
ARG  A1101 (-4.5A)
 1.46A 5v1sB-4j3bA:
0.0		 5v1sB-4j3bA:
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.
5V1T_A_SAMA605_0
(RADICAL SAM)		 4j3b M1 FAMILY
AMINOPEPTIDASE
(Plasmodium
falciparum) 		5 / 12 THR A 539
SER A 530
ASN A 527
VAL A 523
TYR A 580
 None
None
None
None
ARG  A1101 (-4.5A)
 1.43A 5v1tA-4j3bA:
undetectable		 5v1tA-4j3bA:
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.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		 3ghg FIBRINOGEN ALPHA
CHAIN
(Homo
sapiens) 		3 / 3 ARG A 162
ARG A 167
ARG A 171
 ARG  A 162 ( 0.6A)
ARG  A 167 ( 0.6A)
ARG  A 171 ( 0.6A)
 0.93A 5vcgA-3ghgA:
undetectable		 5vcgA-3ghgA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 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)		 5wo6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6
(Rattus
norvegicus) 		3 / 3 ARG A 588
ARG A 491
ARG A 593
 ARG  A 588 ( 0.6A)
ARG  A 491 ( 0.6A)
ARG  A 593 ( 0.6A)
 0.82A 5vcgA-5wo6A:
undetectable		 5vcgA-5wo6A:
20.94
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.
5VLM_A_CVIA301_1
(REGULATORY PROTEIN
TETR)		 3i4k MUCONATE LACTONIZING
ENZYME
(Corynebacterium
glutamicum) 		4 / 8 GLY A 310
ARG A 120
VAL A 112
ASP A 116
 GLY  A 310 ( 0.0A)
ARG  A 120 ( 0.6A)
VAL  A 112 ( 0.6A)
ASP  A 116 ( 0.6A)
 1.05A 5vlmA-3i4kA:
undetectable		 5vlmA-3i4kA:
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.
5VOO_D_C2FD3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5xyk PUTATIVE CYTOPLASMIC
PROTEIN
(Salmonella
enterica) 		4 / 5 ASP E 204
ASN E 272
ASP E 239
ARG E  72
 None
ARG  E 401 (-4.3A)
UDP  E 403 ( 3.2A)
None
 1.44A 5vooD-5xykE:
undetectable		 5vooD-5xykE:
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.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3rit DIPEPTIDE EPIMERASE
(Methylococcus
capsulatus) 		3 / 3 ASP A 241
ASN A 264
ASP A 319
 MG  A 365 ( 3.8A)
None
ARG  A 363 (-3.0A)
 0.85A 5vopA-3ritA:
8.9		 5vopA-3ritA:
25.75
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.
5VOP_B_C2FB3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3kum DIPEPTIDE EPIMERASE
(Enterococcus
faecalis) 		3 / 3 ASP A 240
ASN A 262
ASP A 318
 MG  A 357 ( 3.3A)
None
ARG  A 355 (-2.8A)
 0.84A 5vopB-3kumA:
3.4		 5vopB-3kumA:
23.76
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.
5VOP_B_C2FB3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 3rit DIPEPTIDE EPIMERASE
(Methylococcus
capsulatus) 		3 / 3 ASP A 241
ASN A 264
ASP A 319
 MG  A 365 ( 3.8A)
None
ARG  A 363 (-3.0A)
 0.81A 5vopB-3ritA:
8.8		 5vopB-3ritA:
25.75
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.
5VUI_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5vuiA-5bs1A:
undetectable
5vuiB-5bs1A:
undetectable		 5vuiA-5bs1A:
14.45
5vuiB-5bs1A:
14.45
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.
5VUI_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 5vuiA-5bs1A:
undetectable
5vuiB-5bs1A:
undetectable		 5vuiA-5bs1A:
14.45
5vuiB-5bs1A:
14.45
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.
5VUJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.33A 5vujA-5bs1A:
undetectable
5vujB-5bs1A:
undetectable		 5vujA-5bs1A:
14.45
5vujB-5bs1A:
14.45
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.
5VUJ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.34A 5vujA-5bs1A:
undetectable
5vujB-5bs1A:
undetectable		 5vujA-5bs1A:
14.45
5vujB-5bs1A:
14.45
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.
5VUK_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5vukA-5bs1A:
undetectable
5vukB-5bs1A:
undetectable		 5vukA-5bs1A:
14.45
5vukB-5bs1A:
14.45
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.
5VUK_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5vukA-5bs1A:
undetectable
5vukB-5bs1A:
undetectable		 5vukA-5bs1A:
14.45
5vukB-5bs1A:
14.45
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.
5VUL_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5vulA-5bs1A:
undetectable
5vulB-5bs1A:
undetectable		 5vulA-5bs1A:
14.45
5vulB-5bs1A:
14.45
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.
5VUL_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 5vulA-5bs1A:
undetectable
5vulB-5bs1A:
undetectable		 5vulA-5bs1A:
14.45
5vulB-5bs1A:
14.45
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.
5VUM_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5vumA-5bs1A:
undetectable
5vumB-5bs1A:
undetectable		 5vumA-5bs1A:
14.45
5vumB-5bs1A:
14.45
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.
5VUM_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5vumA-5bs1A:
undetectable
5vumB-5bs1A:
undetectable		 5vumA-5bs1A:
14.45
5vumB-5bs1A:
14.45
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.
5VUO_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 5vuoA-5bs1A:
undetectable
5vuoB-5bs1A:
undetectable		 5vuoA-5bs1A:
14.45
5vuoB-5bs1A:
14.45
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.
5VUP_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5vupA-5bs1A:
undetectable
5vupB-5bs1A:
undetectable		 5vupA-5bs1A:
14.45
5vupB-5bs1A:
14.45
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.
5VUQ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5vuqA-5bs1A:
undetectable
5vuqB-5bs1A:
undetectable		 5vuqA-5bs1A:
14.45
5vuqB-5bs1A:
14.45
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.
5VUQ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5vuqA-5bs1A:
undetectable
5vuqB-5bs1A:
undetectable		 5vuqA-5bs1A:
14.45
5vuqB-5bs1A:
14.45
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.
5VUR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 5vurA-5bs1A:
undetectable
5vurB-5bs1A:
undetectable		 5vurA-5bs1A:
14.45
5vurB-5bs1A:
14.45
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.
5VUS_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5vusA-5bs1A:
undetectable
5vusB-5bs1A:
undetectable		 5vusA-5bs1A:
14.45
5vusB-5bs1A:
14.45
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.
5VUS_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 5vusA-5bs1A:
undetectable
5vusB-5bs1A:
undetectable		 5vusA-5bs1A:
14.45
5vusB-5bs1A:
14.45
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.
5VUU_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5vuuA-5bs1A:
undetectable
5vuuB-5bs1A:
undetectable		 5vuuA-5bs1A:
14.45
5vuuB-5bs1A:
14.45
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.
5VUV_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5vuvA-5bs1A:
undetectable
5vuvB-5bs1A:
undetectable		 5vuvA-5bs1A:
15.97
5vuvB-5bs1A:
15.97
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.
5VUV_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5vuvA-5bs1A:
undetectable
5vuvB-5bs1A:
undetectable		 5vuvA-5bs1A:
15.97
5vuvB-5bs1A:
15.97
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.
5VUW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.25A 5vuwA-5bs1A:
undetectable
5vuwB-5bs1A:
undetectable		 5vuwA-5bs1A:
15.97
5vuwB-5bs1A:
15.97
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.
5VUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 5vuxA-5bs1A:
undetectable
5vuxB-5bs1A:
undetectable		 5vuxA-5bs1A:
15.97
5vuxB-5bs1A:
15.97
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.
5VUY_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 5vuyA-5bs1A:
undetectable
5vuyB-5bs1A:
undetectable		 5vuyA-5bs1A:
15.97
5vuyB-5bs1A:
15.97
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.
5VUY_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.25A 5vuyA-5bs1A:
undetectable
5vuyB-5bs1A:
undetectable		 5vuyA-5bs1A:
15.97
5vuyB-5bs1A:
15.97
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.
5VUZ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5vuzA-5bs1A:
undetectable
5vuzB-5bs1A:
undetectable		 5vuzA-5bs1A:
15.97
5vuzB-5bs1A:
15.97
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.
5VUZ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5vuzA-5bs1A:
undetectable
5vuzB-5bs1A:
undetectable		 5vuzA-5bs1A:
15.97
5vuzB-5bs1A:
15.97
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.
5VV0_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5vv0A-5bs1A:
undetectable
5vv0B-5bs1A:
undetectable		 5vv0A-5bs1A:
15.97
5vv0B-5bs1A:
15.97
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.
5VV0_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5vv0A-5bs1A:
undetectable
5vv0B-5bs1A:
undetectable		 5vv0A-5bs1A:
15.97
5vv0B-5bs1A:
15.97
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.
5VV1_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 5vv1A-5bs1A:
undetectable
5vv1B-5bs1A:
undetectable		 5vv1A-5bs1A:
15.97
5vv1B-5bs1A:
15.97
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.
5VV2_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5vv2A-5bs1A:
undetectable
5vv2B-5bs1A:
undetectable		 5vv2A-5bs1A:
15.97
5vv2B-5bs1A:
15.97
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.
5VV3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5vv3A-5bs1A:
undetectable
5vv3B-5bs1A:
undetectable		 5vv3A-5bs1A:
15.97
5vv3B-5bs1A:
15.97
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.
5VV3_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 5vv3A-5bs1A:
undetectable
5vv3B-5bs1A:
undetectable		 5vv3A-5bs1A:
15.97
5vv3B-5bs1A:
15.97
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.
5VV4_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 5vv4A-5bs1A:
undetectable
5vv4B-5bs1A:
undetectable		 5vv4A-5bs1A:
15.97
5vv4B-5bs1A:
15.97
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.
5VV5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 5vv5A-5bs1A:
undetectable
5vv5B-5bs1A:
undetectable		 5vv5A-5bs1A:
15.97
5vv5B-5bs1A:
15.97
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.
5VV5_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 5vv5A-5bs1A:
undetectable
5vv5B-5bs1A:
undetectable		 5vv5A-5bs1A:
15.97
5vv5B-5bs1A:
15.97
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.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 6 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.95A 5w97C-4flxA:
undetectable
5w97J-4flxA:
undetectable		 5w97C-4flxA:
13.49
5w97J-4flxA:
6.62
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.
5WM2_A_ACTA605_0
(SALICYLATE-AMP
LIGASE)		 5l5n PLEXIN-A4
(Mus
musculus) 		3 / 3 THR A 681
THR A 686
ARG A 677
 THR  A 681 ( 0.8A)
THR  A 686 ( 0.8A)
ARG  A 677 ( 0.6A)
 1.03A 5wm2A-5l5nA:
undetectable		 5wm2A-5l5nA:
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.
5X19_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 6 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.90A 5x19P-4flxA:
2.7		 5x19P-4flxA:
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.
5X1B_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 5 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.92A 5x1bP-4flxA:
1.3		 5x1bP-4flxA:
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.
5X1F_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 5 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.95A 5x1fC-4flxA:
undetectable
5x1fJ-4flxA:
undetectable		 5x1fC-4flxA:
13.49
5x1fJ-4flxA:
6.62
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.
5X1F_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.91A 5x1fP-4flxA:
undetectable
5x1fW-4flxA:
undetectable		 5x1fP-4flxA:
13.49
5x1fW-4flxA:
6.62
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.
5X80_A_SALA201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		4 / 5 VAL A  53
ARG A 233
GLY A 196
TYR A 197
 VAL  A  53 ( 0.6A)
ARG  A 233 (-0.6A)
GLY  A 196 (-0.0A)
TYR  A 197 (-1.3A)
 1.03A 5x80A-1wsvA:
undetectable
5x80B-1wsvA:
undetectable		 5x80A-1wsvA:
20.12
5x80B-1wsvA:
20.12
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.
5X80_D_SALD201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		4 / 5 GLY A 196
TYR A 197
VAL A  53
ARG A 233
 GLY  A 196 (-0.0A)
TYR  A 197 (-1.3A)
VAL  A  53 ( 0.6A)
ARG  A 233 (-0.6A)
 1.10A 5x80C-1wsvA:
undetectable
5x80D-1wsvA:
undetectable		 5x80C-1wsvA:
20.12
5x80D-1wsvA:
20.12
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.
5XDX_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 5 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.93A 5xdxC-4flxA:
2.6
5xdxJ-4flxA:
undetectable		 5xdxC-4flxA:
13.37
5xdxJ-4flxA:
6.62
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.
5XDX_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 5 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.95A 5xdxP-4flxA:
2.6
5xdxW-4flxA:
undetectable		 5xdxP-4flxA:
13.37
5xdxW-4flxA:
6.62
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.
5XV7_A_EMHA705_1
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 12 ARG A  76
GLY A  44
ALA A  82
PHE A  87
GLY A  90
 ARG  A  76 (-0.6A)
GLY  A  44 (-0.0A)
ALA  A  82 ( 0.0A)
PHE  A  87 ( 1.3A)
GLY  A  90 ( 0.0A)
 0.83A 5xv7A-3ulkA:
undetectable		 5xv7A-3ulkA:
12.41
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.
5Y2T_B_8LXB501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5l5n PLEXIN-A4
(Mus
musculus) 		5 / 12 LEU A 203
ARG A 125
ILE A 172
TYR A 245
ILE A 184
 LEU  A 203 ( 0.5A)
ARG  A 125 ( 0.6A)
ILE  A 172 ( 0.7A)
TYR  A 245 ( 1.3A)
ILE  A 184 ( 0.4A)
 1.21A 5y2tB-5l5nA:
undetectable		 5y2tB-5l5nA:
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.
5Z85_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.93A 5z85C-4flxA:
undetectable
5z85J-4flxA:
undetectable		 5z85C-4flxA:
13.49
5z85J-4flxA:
6.62
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.
5ZBD_A_TRPA501_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 10 ARG A 179
ALA A 239
LEU A 208
VAL A 185
GLY A 184
 ARG  A 179 ( 0.6A)
ALA  A 239 ( 0.0A)
LEU  A 208 ( 0.6A)
VAL  A 185 ( 0.6A)
GLY  A 184 ( 0.0A)
 1.24A 5zbdA-3ab7A:
2.6		 5zbdA-3ab7A:
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.
5ZBD_A_TRPA501_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE
(Saccharomonospor
a
viridis) 		5 / 10 ARG A  98
ALA A  34
HIS A  95
LEU A  23
VAL A 140
 ARG  A  98 (-0.6A)
ALA  A  34 ( 0.0A)
HIS  A  95 ( 1.0A)
LEU  A  23 ( 0.5A)
VAL  A 140 ( 0.6A)
 1.28A 5zbdA-4jbeA:
1.6		 5zbdA-4jbeA:
24.31
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.
5ZBD_B_TRPB501_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 10 ARG A 179
ALA A 239
LEU A 208
VAL A 185
GLY A 184
 ARG  A 179 ( 0.6A)
ALA  A 239 ( 0.0A)
LEU  A 208 ( 0.6A)
VAL  A 185 ( 0.6A)
GLY  A 184 ( 0.0A)
 1.23A 5zbdB-3ab7A:
undetectable		 5zbdB-3ab7A:
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.
5ZCO_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.88A 5zcoC-4flxA:
2.6
5zcoJ-4flxA:
undetectable		 5zcoC-4flxA:
13.49
5zcoJ-4flxA:
6.62
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.
5ZCQ_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.91A 5zcqC-4flxA:
undetectable
5zcqJ-4flxA:
undetectable		 5zcqC-4flxA:
13.49
5zcqJ-4flxA:
6.62
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.
5ZCQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		4 / 7 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.93A 5zcqP-4flxA:
2.6
5zcqW-4flxA:
undetectable		 5zcqP-4flxA:
13.49
5zcqW-4flxA:
6.62
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		5 / 12 GLY A  -1
SER A   4
ALA A  87
ARG A  86
PRO A 295
 GLY  A  -1 ( 0.0A)
SER  A   4 ( 0.0A)
ALA  A  87 ( 0.0A)
ARG  A  86 ( 0.6A)
PRO  A 295 ( 1.1A)
 1.07A 5zvgA-3r9rA:
undetectable		 5zvgA-3r9rA:
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.
5ZVG_A_SAMA401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS
(Bacillus
subtilis) 		3 / 3 ASP A 141
ARG A 128
ASP A 247
 None
ARG  A2000 (-4.0A)
None
 0.87A 5zvgA-2an2A:
undetectable		 5zvgA-2an2A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3r9r PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE
(Mycobacteroides
abscessus) 		5 / 12 GLY A  -1
SER A   4
ALA A  87
ARG A  86
PRO A 295
 GLY  A  -1 ( 0.0A)
SER  A   4 ( 0.0A)
ALA  A  87 ( 0.0A)
ARG  A  86 ( 0.6A)
PRO  A 295 ( 1.1A)
 1.05A 5zvgB-3r9rA:
undetectable		 5zvgB-3r9rA:
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.
5ZVG_B_SAMB401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS
(Bacillus
subtilis) 		3 / 3 ASP A 141
ARG A 128
ASP A 247
 None
ARG  A2000 (-4.0A)
None
 0.89A 5zvgB-2an2A:
undetectable		 5zvgB-2an2A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A7P_B_9SCB601_0
(SERUM ALBUMIN)		 4ikn AP-3 COMPLEX SUBUNIT
MU-1
(Rattus
norvegicus) 		5 / 12 VAL A 183
LEU A 220
ARG A 246
PHE A 222
LEU A 387
 VAL  A 183 ( 0.6A)
LEU  A 220 ( 0.6A)
ARG  A 246 ( 0.6A)
PHE  A 222 ( 1.3A)
LEU  A 387 ( 0.6A)
 1.45A 6a7pB-4iknA:
undetectable		 6a7pB-4iknA:
18.31
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.
6AN0_A_HISA520_0
(HISTIDINOL
DEHYDROGENASE)		 3ik5 PROTEIN NEF
(Simian
immunodeficiency
virus) 		4 / 6 GLU A 150
LYS A 148
ARG A 109
GLU A 147
 GLU  A 150 ( 0.6A)
LYS  A 148 ( 0.0A)
ARG  A 109 ( 0.6A)
GLU  A 147 ( 0.6A)
 1.06A 6an0A-3ik5A:
undetectable		 6an0A-3ik5A:
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.
6AUQ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 6auqA-5bs1A:
undetectable
6auqB-5bs1A:
undetectable		 6auqA-5bs1A:
18.18
6auqB-5bs1A:
18.18
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.
6AUT_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 6autA-5bs1A:
undetectable
6autB-5bs1A:
undetectable		 6autA-5bs1A:
18.18
6autB-5bs1A:
18.18
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.
6AUU_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 6auuA-5bs1A:
undetectable
6auuB-5bs1A:
undetectable		 6auuA-5bs1A:
18.18
6auuB-5bs1A:
18.18
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.
6AUW_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 6auwA-5bs1A:
undetectable
6auwB-5bs1A:
undetectable		 6auwA-5bs1A:
18.18
6auwB-5bs1A:
18.18
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.
6AV1_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 6av1A-5bs1A:
undetectable
6av1B-5bs1A:
undetectable		 6av1A-5bs1A:
20.49
6av1B-5bs1A:
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.
6AV1_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 6av1A-5bs1A:
undetectable
6av1B-5bs1A:
undetectable		 6av1A-5bs1A:
20.49
6av1B-5bs1A:
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.
6AV3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 6av3A-5bs1A:
undetectable
6av3B-5bs1A:
undetectable		 6av3A-5bs1A:
20.49
6av3B-5bs1A:
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.
6B58_A_ACTA609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 4zke SUPERKILLER PROTEIN
7
(Saccharomyces
cerevisiae) 		3 / 3 HIS A 573
HIS A 566
ARG A 634
 HIS  A 573 ( 1.0A)
HIS  A 566 ( 1.0A)
ARG  A 634 ( 0.6A)
 1.11A 6b58A-4zkeA:
undetectable		 6b58A-4zkeA:
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.
6B89_B_NOVB403_1
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		 2jrs RNA-BINDING PROTEIN
39
(Homo
sapiens) 		4 / 7 PHE A  75
ARG A  28
ALA A  84
GLN A  57
 PHE  A  75 ( 1.3A)
ARG  A  28 ( 0.6A)
ALA  A  84 ( 0.0A)
GLN  A  57 ( 0.6A)
 1.31A 6b89A-2jrsA:
undetectable		 6b89A-2jrsA:
25.27
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.
6BM5_A_SAMA1301_0
(METHIONINE SYNTHASE)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 11 ASP A 178
PRO A 176
ARG A 182
PRO A  82
TYR A 117
 ASP  A 178 ( 0.6A)
PRO  A 176 ( 1.1A)
ARG  A 182 ( 0.6A)
PRO  A  82 ( 1.1A)
TYR  A 117 ( 1.3A)
 1.27A 6bm5A-2nvvA:
undetectable		 6bm5A-2nvvA:
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.
6BRD_B_RFPB502_2
(RIFAMPIN
MONOOXYGENASE)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 6 VAL A 273
LEU A 284
ARG A 282
PRO A 230
 VAL  A 273 ( 0.6A)
LEU  A 284 ( 0.6A)
ARG  A 282 ( 0.6A)
PRO  A 230 ( 1.1A)
 1.16A 6brdB-2ogsA:
undetectable		 6brdB-2ogsA:
11.97
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.
6C2M_A_SUEA1202_1
(NS3 PROTEASE)		 1fgv H52 FV (HEAVY CHAIN)
(Homo
sapiens) 		5 / 9 ARG H  38
ALA H  88
VAL H 122
SER H 123
ASP H  90
 ARG  H  38 ( 0.7A)
ALA  H  88 ( 0.0A)
VAL  H 122 ( 0.6A)
SER  H 123 ( 0.0A)
ASP  H  90 ( 0.6A)
 1.43A 6c2mA-1fgvH:
undetectable		 6c2mA-1fgvH:
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.
6C2M_A_SUEA1202_1
(NS3 PROTEASE)		 3p9w HUMAN VEGF
(Homo
sapiens) 		5 / 9 ARG B  38
ALA B  84
VAL B 111
SER B 112
ASP B  86
 ARG  B  38 ( 0.6A)
ALA  B  84 ( 0.0A)
VAL  B 111 ( 0.6A)
SER  B 112 ( 0.0A)
ASP  B  86 ( 0.5A)
 1.47A 6c2mA-3p9wB:
undetectable		 6c2mA-3p9wB:
23.73
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.
6C2M_C_SUEC1203_0
(NS3 PROTEASE)		 5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE
(Flavobacterium
psychrophilum) 		5 / 12 HIS A  83
ASP A 219
GLY A 642
SER A 644
VAL A 663
 ARG  A 801 (-3.6A)
None
ASP  A 802 (-3.8A)
ASP  A 802 (-2.5A)
None
 0.89A 6c2mC-5jxfA:
6.1		 6c2mC-5jxfA:
7.39
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.
6D8F_A_ACTA803_0
(UNCHARACTERIZED
PROTEIN)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		3 / 3 GLU A 101
LEU A 104
ARG A 108
 GLU  A 101 ( 0.6A)
LEU  A 104 ( 0.6A)
ARG  A 108 ( 0.6A)
 0.66A 6d8fA-3ab7A:
2.7		 6d8fA-3ab7A:
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.
6DH0_A_017A101_0
(PROTEASE)		 4h5g AMINO ACID ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN
(Streptococcus
pneumoniae) 		5 / 12 LEU A  95
GLY A 109
ALA A 108
ILE A  86
VAL A  94
 GOL  A 306 ( 4.3A)
ARG  A 310 (-4.7A)
ARG  A 310 (-3.9A)
None
None
 0.90A 6dh0A-4h5gA:
undetectable		 6dh0A-4h5gA:
16.32
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.
6DK1_C_GM4C301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 5lun 2-OXOGLUTARATE-DEPEN
DENT
ETHYLENE/SUCCINATE-F
ORMING ENZYME
(Pseudomonas
savastanoi) 		5 / 11 ALA A 281
TYR A 318
ASP A  91
GLU A  84
THR A  97
 OGA  A 402 ( 3.7A)
None
ARG  A 403 ( 4.7A)
ARG  A 403 (-3.5A)
None
 1.22A 6dk1C-5lunA:
4.3		 6dk1C-5lunA:
21.55
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.
6DWD_A_GLYA717_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS
(Bacillus
subtilis) 		4 / 5 SER A 144
ARG A 128
ASP A 141
ARG A 250
 None
ARG  A2000 (-4.0A)
None
None
 1.27A 6dwdA-2an2A:
undetectable		 6dwdA-2an2A:
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.
6DWD_D_GLYD713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 5wo1 PERIPLASMIC
CHAPERONE SPY
(Escherichia
coli) 		3 / 3 ARG A  61
HIS A  65
ARG A  62
 ARG  A  61 ( 0.6A)
HIS  A  65 ( 1.0A)
ARG  A  62 ( 0.6A)
 1.15A 6dwdD-5wo1A:
undetectable		 6dwdD-5wo1A:
11.07
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.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		4 / 5 ARG A 784
GLY A 782
ASN A 781
ASP A 779
 ARG  A 784 ( 0.6A)
GLY  A 782 ( 0.0A)
ASN  A 781 ( 0.6A)
ASP  A 779 ( 0.6A)
 1.38A 6dwjB-1v0fA:
undetectable
6dwjD-1v0fA:
undetectable		 6dwjB-1v0fA:
21.34
6dwjD-1v0fA:
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.
6E43_A_BEZA502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 5svd NUCLEOLAR PROTEIN 9
(Saccharomyces
cerevisiae) 		4 / 6 LEU A 211
LEU A 208
ARG A 207
HIS A 204
 LEU  A 211 ( 0.6A)
LEU  A 208 ( 0.5A)
ARG  A 207 ( 0.6A)
HIS  A 204 ( 1.0A)
 0.90A 6e43A-5svdA:
1.7		 6e43A-5svdA:
21.32
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.
6E43_B_BEZB502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 5svd NUCLEOLAR PROTEIN 9
(Saccharomyces
cerevisiae) 		4 / 6 LEU A 211
LEU A 208
ARG A 207
HIS A 204
 LEU  A 211 ( 0.6A)
LEU  A 208 ( 0.5A)
ARG  A 207 ( 0.6A)
HIS  A 204 ( 1.0A)
 0.92A 6e43B-5svdA:
3.3		 6e43B-5svdA:
21.32
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.
6E43_D_BEZD502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 5svd NUCLEOLAR PROTEIN 9
(Saccharomyces
cerevisiae) 		4 / 6 LEU A 211
LEU A 208
ARG A 207
HIS A 204
 LEU  A 211 ( 0.6A)
LEU  A 208 ( 0.5A)
ARG  A 207 ( 0.6A)
HIS  A 204 ( 1.0A)
 0.85A 6e43D-5svdA:
1.9		 6e43D-5svdA:
21.32
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.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
 LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
 1.38A 6ew0B-4mtpA:
undetectable		 6ew0B-4mtpA:
7.95
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.
6EW0_D_TA1D501_2
(TUBULIN BETA CHAIN)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
 LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
 1.38A 6ew0D-4mtpA:
undetectable		 6ew0D-4mtpA:
7.95
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.
6EW0_H_TA1H501_2
(TUBULIN BETA CHAIN)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
 LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
 1.38A 6ew0H-4mtpA:
undetectable		 6ew0H-4mtpA:
7.95
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.
6EW0_I_TA1I501_2
(TUBULIN BETA CHAIN)		 4mtp RNA DEPENDENT RNA
POLYMERASE
(Japanese
encephalitis
virus) 		4 / 5 LEU A 640
THR A 379
PRO A 368
ARG A 546
 LEU  A 640 ( 0.5A)
THR  A 379 ( 0.8A)
PRO  A 368 ( 1.1A)
ARG  A 546 ( 0.6A)
 1.38A 6ew0I-4mtpA:
undetectable		 6ew0I-4mtpA:
7.95
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.
6FGD_A_ACTA821_0
(GEPHYRIN)		 5gpr CHITINASE
(Ostrinia
furnacalis) 		3 / 3 ARG A 165
PHE A 167
GLY A 161
 ARG  A 165 ( 0.6A)
PHE  A 167 ( 1.3A)
GLY  A 161 ( 0.0A)
 0.73A 6fgdA-5gprA:
undetectable		 6fgdA-5gprA:
21.80
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.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		4 / 6 ARG A 293
ALA A 381
LEU A 292
ALA A 291
 ARG  A 293 (-0.6A)
ALA  A 381 ( 0.0A)
LEU  A 292 ( 0.6A)
ALA  A 291 ( 0.0A)
 1.19A 6fosB-2ogsA:
undetectable		 6fosB-2ogsA:
9.63
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.
6G9B_B_IXXB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		 4rhy HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE
(Mycobacterium
tuberculosis) 		4 / 5 ARG A  77
ALA A  76
GLN A  34
ILE A  37
 ARG  A  77 ( 0.6A)
ALA  A  76 ( 0.0A)
GLN  A  34 ( 0.6A)
ILE  A  37 ( 0.7A)
 1.28A 6g9bA-4rhyA:
undetectable
6g9bB-4rhyA:
undetectable		 6g9bA-4rhyA:
20.93
6g9bB-4rhyA:
18.04
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.
6GH9_A_MIXA1003_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15)		 5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE
(Flavobacterium
psychrophilum) 		4 / 5 ASN A 210
GLY A  66
HIS A  83
ASP A 219
 ARG  A 801 (-2.9A)
None
ARG  A 801 (-3.6A)
None
 1.26A 6gh9A-5jxfA:
undetectable		 6gh9A-5jxfA:
8.60
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.
6GNA_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 2p5d UPF0310 PROTEIN
MJECL36
(Methanocaldococc
us
jannaschii) 		3 / 3 ARG A  62
LYS A  20
TYR A  65
 ARG  A  62 ( 0.6A)
LYS  A  20 ( 0.0A)
TYR  A  65 ( 1.3A)
 1.15A 6gnaA-2p5dA:
undetectable		 6gnaA-2p5dA:
21.65
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.
6GNA_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		3 / 3 ARG A 504
LYS A 502
TYR A 497
 ARG  A 504 (-0.6A)
LYS  A 502 ( 0.0A)
TYR  A 497 ( 1.3A)
 1.33A 6gnaA-4flxA:
1.3		 6gnaA-4flxA:
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.
6GNB_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 2p5d UPF0310 PROTEIN
MJECL36
(Methanocaldococc
us
jannaschii) 		3 / 3 ARG A  62
LYS A  20
TYR A  65
 ARG  A  62 ( 0.6A)
LYS  A  20 ( 0.0A)
TYR  A  65 ( 1.3A)
 1.15A 6gnbA-2p5dA:
undetectable		 6gnbA-2p5dA:
21.65
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.
6GNB_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 4flx DNA POLYMERASE 1
(Pyrococcus
abyssi) 		3 / 3 ARG A 504
LYS A 502
TYR A 497
 ARG  A 504 (-0.6A)
LYS  A 502 ( 0.0A)
TYR  A 497 ( 1.3A)
 1.33A 6gnbA-4flxA:
1.3		 6gnbA-4flxA:
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.
6GNG_A_QPSA601_2
(-)		 2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50
(Geobacillus
stearothermophil
us) 		5 / 12 GLY A 163
TYR A  29
VAL A 283
ARG A 139
GLY A 160
 GLY  A 163 ( 0.0A)
TYR  A  29 ( 1.3A)
VAL  A 283 ( 0.6A)
ARG  A 139 ( 0.6A)
GLY  A 160 ( 0.0A)
 1.01A 6gngA-2ogsA:
5.4		 6gngA-2ogsA:
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.
6HIS_A_TKTA508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 8 ASP A 249
ILE A 246
ARG A 320
ASN A 223
 ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
ASN  A 223 ( 0.6A)
 1.24A 6hisA-3pu5A:
undetectable
6hisB-3pu5A:
undetectable		 6hisA-3pu5A:
13.65
6hisB-3pu5A:
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.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		4 / 8 ASP A 420
ARG A 398
ARG A 513
ASN A 534
 ASP  A 420 ( 0.6A)
ARG  A 398 ( 0.6A)
ARG  A 513 ( 0.6A)
ASN  A 534 ( 0.6A)
 1.03A 6hisB-1v0fA:
undetectable
6hisC-1v0fA:
undetectable		 6hisB-1v0fA:
8.39
6hisC-1v0fA:
8.39
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.
6HIS_B_TKTB508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 8 ASP A 249
ILE A 246
ARG A 320
ASN A 223
 ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
ASN  A 223 ( 0.6A)
 1.23A 6hisB-3pu5A:
undetectable
6hisC-3pu5A:
undetectable		 6hisB-3pu5A:
13.65
6hisC-3pu5A:
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		4 / 8 ASP A 420
ARG A 398
ARG A 513
ASN A 534
 ASP  A 420 ( 0.6A)
ARG  A 398 ( 0.6A)
ARG  A 513 ( 0.6A)
ASN  A 534 ( 0.6A)
 1.01A 6hisC-1v0fA:
undetectable
6hisD-1v0fA:
undetectable		 6hisC-1v0fA:
8.39
6hisD-1v0fA:
8.39
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.
6HIS_C_TKTC508_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 8 ASP A 249
ILE A 246
ARG A 320
ASN A 223
 ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
ASN  A 223 ( 0.6A)
 1.23A 6hisC-3pu5A:
undetectable
6hisD-3pu5A:
undetectable		 6hisC-3pu5A:
13.65
6hisD-3pu5A:
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.
6HIS_D_TKTD501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 8 ASP A 249
ILE A 246
ARG A 320
ASN A 223
 ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
ASN  A 223 ( 0.6A)
 1.23A 6hisD-3pu5A:
undetectable
6hisE-3pu5A:
undetectable		 6hisD-3pu5A:
13.65
6hisE-3pu5A:
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		4 / 8 ASN A 534
ASP A 420
ARG A 398
ARG A 513
 ASN  A 534 ( 0.6A)
ASP  A 420 ( 0.6A)
ARG  A 398 ( 0.6A)
ARG  A 513 ( 0.6A)
 1.01A 6hisA-1v0fA:
undetectable
6hisE-1v0fA:
undetectable		 6hisA-1v0fA:
8.39
6hisE-1v0fA:
8.39
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.
6HIS_E_TKTE501_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 3A)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 8 ASN A 223
ASP A 249
ILE A 246
ARG A 320
 ASN  A 223 ( 0.6A)
ASP  A 249 ( 0.6A)
ILE  A 246 ( 0.7A)
ARG  A 320 ( 0.6A)
 1.23A 6hisA-3pu5A:
undetectable
6hisE-3pu5A:
undetectable		 6hisA-3pu5A:
13.65
6hisE-3pu5A:
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		 3tql ARGININE-BINDING
PROTEIN
(Coxiella
burnetii) 		4 / 8 PHE A 131
PHE A 167
VAL A 220
SER A 128
 None
None
None
ARG  A   1 ( 4.3A)
 1.25A 6huoC-3tqlA:
undetectable
6huoD-3tqlA:
undetectable		 6huoC-3tqlA:
16.83
6huoD-3tqlA:
18.05
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.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		3 / 3 ARG A  36
LEU A 131
PHE A 132
 ARG  A  36 ( 0.6A)
LEU  A 131 ( 0.6A)
PHE  A 132 ( 1.3A)
 0.80A 6nknP-1wqaA:
0.0		 6nknP-1wqaA:
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.
6NKN_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4hne PHOSPHATIDYLINOSITOL
4-KINASE TYPE
2-ALPHA
(Homo
sapiens) 		3 / 3 ARG A 210
LEU A 262
PHE A 263
 ARG  A 210 ( 0.6A)
LEU  A 262 (-0.5A)
PHE  A 263 (-1.3A)
 0.61A 6nknP-4hneA:
undetectable		 6nknP-4hneA:
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.
7DFR_A_FOLA161_1
(DIHYDROFOLATE
REDUCTASE)		 4c9g ADP, ATP CARRIER
PROTEIN 2
(Saccharomyces
cerevisiae) 		3 / 3 ASP A  55
LEU A  58
ARG A  76
 ASP  A  55 (-0.6A)
LEU  A  58 (-0.6A)
ARG  A  76 ( 0.6A)
 0.84A 7dfrA-4c9gA:
undetectable		 7dfrA-4c9gA:
19.18