SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5o25'

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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 286
ALA A 123
HIS A 104
HIS A 105
ASP A  23
 PG4  A 403 ( 4.7A)
None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 401 (-2.0A)
 1.08A 1a4lA-5o25A:
undetectable		 1a4lA-5o25A:
22.16
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 286
ALA A 123
HIS A 104
HIS A 105
ASP A  23
 PG4  A 403 ( 4.7A)
None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 401 (-2.0A)
 1.15A 1a4lC-5o25A:
undetectable		 1a4lC-5o25A:
22.16
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 104
GLY A 285
HIS A  19
ASP A  80
ASP A 103
 MN  A 402 (-3.5A)
PG4  A 403 (-3.5A)
MN  A 401 (-3.5A)
MN  A 401 ( 2.6A)
None
 1.48A 1a4lD-5o25A:
undetectable		 1a4lD-5o25A:
22.16
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 CYH A  26
ASP A  23
VAL A  27
HIS A  19
 None
MN  A 401 (-2.0A)
None
MN  A 401 (-3.5A)
 1.46A 1ekjG-5o25A:
undetectable
1ekjH-5o25A:
undetectable		 1ekjG-5o25A:
20.23
1ekjH-5o25A:
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.
1FKP_A_NVPA999_1
(HIV-1 RT, A-CHAIN)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 11 PRO A  69
LEU A  15
VAL A  78
VAL A  30
LEU A  93
 None
 1.25A 1fkpA-5o25A:
2.1		 1fkpA-5o25A:
19.68
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.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 11 PRO A  69
LEU A  15
VAL A  78
VAL A  30
LEU A  93
 None
 1.29A 1lwcA-5o25A:
undetectable		 1lwcA-5o25A:
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 ASP A 103
HIS A 286
ASP A 154
 None
PG4  A 403 ( 4.7A)
MN  A 402 (-2.8A)
 0.82A 1nw5A-5o25A:
undetectable		 1nw5A-5o25A:
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.
1Q23_C_FUAC701_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 4 ALA A 289
VAL A 274
ALA A 290
HIS A 105
 PG4  A 403 ( 4.2A)
None
None
PG4  A 403 (-4.5A)
 1.20A 1q23A-5o25A:
undetectable		 1q23A-5o25A:
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.
1Q23_E_FUAE706_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 4 ALA A 289
VAL A 274
ALA A 290
HIS A 105
 PG4  A 403 ( 4.2A)
None
None
PG4  A 403 (-4.5A)
 1.22A 1q23F-5o25A:
undetectable		 1q23F-5o25A:
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.
1Q23_J_FUAJ711_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 4 ALA A 289
VAL A 274
ALA A 290
HIS A 105
 PG4  A 403 ( 4.2A)
None
None
PG4  A 403 (-4.5A)
 1.15A 1q23K-5o25A:
undetectable		 1q23K-5o25A:
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.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 105
GLY A 285
ASP A  80
HIS A 104
ASP A  25
 PG4  A 403 (-4.5A)
PG4  A 403 (-3.5A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.5A)
MN  A 402 (-3.1A)
 1.29A 1t69A-5o25A:
undetectable		 1t69A-5o25A:
21.48
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.
2BM9_C_SAMC301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 4 SER A  32
ASP A 170
ARG A 166
ASP A 164
 None
 1.06A 2bm9C-5o25A:
undetectable		 2bm9C-5o25A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.76A 2dysA-5o25A:
undetectable		 2dysA-5o25A:
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.
2DYS_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.76A 2dysN-5o25A:
undetectable		 2dysN-5o25A:
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.
2EIN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.71A 2einA-5o25A:
1.5		 2einA-5o25A:
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.
2HNY_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 10 LEU A 207
VAL A 248
TYR A 217
GLY A 213
LEU A 242
 None
 1.41A 2hnyA-5o25A:
3.5		 2hnyA-5o25A:
19.60
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 5 HIS A 105
ASP A  80
HIS A 104
ASP A  25
 PG4  A 403 (-4.5A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.5A)
MN  A 402 (-3.1A)
 1.22A 3c0zA-5o25A:
undetectable		 3c0zA-5o25A:
23.01
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 5 HIS A 105
HIS A 286
ASP A  80
ASP A  23
 PG4  A 403 (-4.5A)
PG4  A 403 ( 4.7A)
MN  A 401 ( 2.6A)
MN  A 401 (-2.0A)
 1.24A 3c0zA-5o25A:
undetectable		 3c0zA-5o25A:
23.01
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 5 HIS A 105
HIS A 286
ASP A  80
ASP A  25
 PG4  A 403 (-4.5A)
PG4  A 403 ( 4.7A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.1A)
 1.23A 3c0zA-5o25A:
undetectable		 3c0zA-5o25A:
23.01
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 HIS A 104
HIS A 105
ASP A 154
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 402 (-2.8A)
MN  A 401 (-2.0A)
 1.19A 3c0zC-5o25A:
undetectable		 3c0zC-5o25A:
23.01
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.
3FPJ_B_SAMB301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 ILE A 262
GLU A 256
LEU A 253
VAL A 306
ARG A 267
 None
None
None
None
PG4  A 403 ( 3.6A)
 0.90A 3fpjB-5o25A:
3.1		 3fpjB-5o25A:
23.28
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 HIS A 104
HIS A 286
HIS A 105
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
MN  A 401 (-2.0A)
 1.17A 3nvcA-5o25A:
undetectable		 3nvcA-5o25A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 HIS A 105
HIS A 104
HIS A 286
ASP A  23
 PG4  A 403 (-4.5A)
MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
MN  A 401 (-2.0A)
 0.82A 3nvcA-5o25A:
undetectable		 3nvcA-5o25A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 HIS A 286
HIS A 105
HIS A 104
ASP A  23
 PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
MN  A 402 (-3.5A)
MN  A 401 (-2.0A)
 1.08A 3nvcA-5o25A:
undetectable		 3nvcA-5o25A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGH_A_FLPA701_1
(CYCLOOXYGENASE-2)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 VAL A 252
VAL A 277
LEU A 310
GLY A 285
ALA A 290
 None
None
None
PG4  A 403 (-3.5A)
None
 1.19A 3pghA-5o25A:
undetectable		 3pghA-5o25A:
20.88
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.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.72A 3s33A-5o25A:
undetectable		 3s33A-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.72A 3s38A-5o25A:
undetectable		 3s38A-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.70A 3s39A-5o25A:
1.2		 3s39A-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.71A 3s3aA-5o25A:
undetectable		 3s3aA-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3B_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.72A 3s3bA-5o25A:
undetectable		 3s3bA-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.69A 3s3cA-5o25A:
undetectable		 3s3cA-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 HIS A 104
HIS A 286
HIS A 105
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-4.5A)
 0.69A 3s3dA-5o25A:
1.1		 3s3dA-5o25A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S56_A_ROCA201_1
(PROTEASE)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 ASP A  23
ILE A  52
VAL A  27
GLY A  18
ILE A  87
 MN  A 401 (-2.0A)
None
None
None
None
 0.98A 3s56A-5o25A:
undetectable		 3s56A-5o25A:
17.15
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.
3W1W_A_CHDA1502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 LEU A  15
LEU A  76
ILE A  65
SER A  99
PRO A  84
 None
 1.37A 3w1wA-5o25A:
undetectable		 3w1wA-5o25A:
20.15
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.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 104
HIS A 286
GLY A 285
ASP A 154
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-3.5A)
MN  A 402 (-2.8A)
MN  A 401 (-2.0A)
 1.28A 4bz6C-5o25A:
undetectable		 4bz6C-5o25A:
21.23
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.
4HYT_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 LEU A   8
GLU A 138
GLY A  36
PHE A 129
ILE A 102
 None
 1.17A 4hytA-5o25A:
3.5		 4hytA-5o25A:
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.
4HYT_C_OBNC2004_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 LEU A   8
GLU A 138
GLY A  36
PHE A 129
ILE A 102
 None
 1.15A 4hytC-5o25A:
undetectable		 4hytC-5o25A:
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 ASP A  80
ARG A 267
THR A 124
 MN  A 401 ( 2.6A)
PG4  A 403 ( 3.6A)
None
 0.78A 4i13A-5o25A:
undetectable		 4i13A-5o25A:
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.
4IJI_F_BEZF501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 8 ASN A 162
ALA A 163
SER A 161
ARG A 159
 None
 1.04A 4ijiF-5o25A:
undetectable		 4ijiF-5o25A:
20.88
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.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 7 ASN A 162
ALA A 163
SER A 161
ARG A 159
 None
 0.96A 4ijiH-5o25A:
undetectable		 4ijiH-5o25A:
20.88
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.
4KRH_A_SAMA900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 GLY A 240
GLY A 237
ALA A 251
ARG A 159
ILE A 245
 None
PEG  A 408 ( 4.1A)
None
None
None
 0.99A 4krhA-5o25A:
2.5		 4krhA-5o25A:
21.48
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.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 GLY A 240
GLY A 237
ALA A 251
ARG A 159
ILE A 245
 None
PEG  A 408 ( 4.1A)
None
None
None
 0.96A 4krhB-5o25A:
undetectable		 4krhB-5o25A:
21.48
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.
4L8F_B_MTXB301_1
(GAMMA-GLUTAMYL
HYDROLASE)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 11 GLY A 285
GLY A 284
GLY A 283
HIS A  19
HIS A 105
 PG4  A 403 (-3.5A)
PG4  A 403 (-4.8A)
None
MN  A 401 (-3.5A)
PG4  A 403 (-4.5A)
 0.99A 4l8fB-5o25A:
2.6		 4l8fB-5o25A:
24.15
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 ASP A  80
ARG A 267
THR A 124
 MN  A 401 ( 2.6A)
PG4  A 403 ( 3.6A)
None
 0.78A 4p3rA-5o25A:
undetectable		 4p3rA-5o25A:
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.
4PUO_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 9 PRO A  69
LEU A  15
VAL A  78
VAL A  30
LEU A  93
 None
 1.27A 4puoA-5o25A:
2.0		 4puoA-5o25A:
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.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 104
HIS A 286
GLY A 285
ASP A 154
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-3.5A)
MN  A 402 (-2.8A)
MN  A 401 (-2.0A)
 1.33A 4qa0A-5o25A:
undetectable		 4qa0A-5o25A:
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.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 104
HIS A 286
GLY A 285
ASP A 154
ASP A  23
 MN  A 402 (-3.5A)
PG4  A 403 ( 4.7A)
PG4  A 403 (-3.5A)
MN  A 402 (-2.8A)
MN  A 401 (-2.0A)
 1.29A 4qa2A-5o25A:
undetectable		 4qa2A-5o25A:
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.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 LEU A   8
GLU A 138
GLY A  36
PHE A 129
ILE A 102
 None
 1.14A 4xe5A-5o25A:
2.9		 4xe5A-5o25A:
15.09
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 105
GLY A 285
ASP A  80
HIS A 104
ASP A  25
 PG4  A 403 (-4.5A)
PG4  A 403 (-3.5A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.5A)
MN  A 402 (-3.1A)
 1.27A 5eeiA-5o25A:
undetectable		 5eeiA-5o25A:
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 12 HIS A 105
GLY A 285
ASP A  80
HIS A 104
ASP A  25
 PG4  A 403 (-4.5A)
PG4  A 403 (-3.5A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.5A)
MN  A 402 (-3.1A)
 1.26A 5eeiB-5o25A:
undetectable		 5eeiB-5o25A:
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.
5HBM_A_NVPA601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 5o25 TMPDE
(Thermotoga
maritima) 		5 / 11 LEU A 207
VAL A 248
TYR A 217
GLY A 213
LEU A 242
 None
 1.46A 5hbmA-5o25A:
3.3		 5hbmA-5o25A:
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.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 ASP A 103
HIS A 104
HIS A 105
HIS A  19
 None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 401 (-3.5A)
 0.88A 5ncdA-5o25A:
undetectable
5ncdD-5o25A:
undetectable		 5ncdA-5o25A:
20.40
5ncdD-5o25A:
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.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 HIS A  19
ASP A 103
HIS A 104
HIS A 105
 MN  A 401 (-3.5A)
None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
 0.83A 5ncdB-5o25A:
undetectable
5ncdC-5o25A:
undetectable		 5ncdB-5o25A:
20.40
5ncdC-5o25A:
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.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 6 ASP A 103
HIS A 104
HIS A 105
HIS A  19
 None
MN  A 402 (-3.5A)
PG4  A 403 (-4.5A)
MN  A 401 (-3.5A)
 0.91A 5nelA-5o25A:
undetectable
5nelD-5o25A:
undetectable		 5nelA-5o25A:
20.40
5nelD-5o25A:
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.
5UUN_A_ACTA303_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 5o25 TMPDE
(Thermotoga
maritima) 		3 / 3 GLU A 256
TYR A 219
ARG A 206
 None
PEG  A 407 (-4.2A)
None
 0.84A 5uunA-5o25A:
undetectable		 5uunA-5o25A:
23.20
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.
6MN4_A_AM2A301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5o25 TMPDE
(Thermotoga
maritima) 		4 / 8 ASP A 118
ARG A 130
ASP A 170
GLU A 169
 None
 1.22A 6mn4A-5o25A:
undetectable		 6mn4A-5o25A:
22.92