SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5CA'


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.
1D4F_C_ADNC603_2
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 5 THR A 218
THR A 117
HIS A  89
LEU A 239
 None
5CA  A 512 (-3.5A)
None
None
 1.34A 1d4fC-1nj1A:
undetectable		 1d4fC-1nj1A:
21.46
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.
1JZS_A_MRCA1301_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		6 / 11 GLY A  44
HIS A  52
HIS A  55
GLY A 249
ASP A 251
ILE A 283
 None
5CA  A 418 ( 4.9A)
5CA  A 418 (-4.3A)
5CA  A 418 (-3.0A)
5CA  A 418 (-3.1A)
5CA  A 418 (-4.4A)
 0.86A 1jzsA-3c8zA:
16.9		 1jzsA-3c8zA:
20.57
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.
1PG2_A_ADNA552_1
(METHIONYL-TRNA
SYNTHETASE)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 HIS A  52
GLY A  54
HIS A  55
GLY A 249
ASP A 251
 5CA  A 418 ( 4.9A)
5CA  A 418 (-3.3A)
5CA  A 418 (-4.3A)
5CA  A 418 (-3.0A)
5CA  A 418 (-3.1A)
 0.42A 1pg2A-3c8zA:
23.7		 1pg2A-3c8zA:
23.22
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.
1QU2_A_MRCA1993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 HIS A  52
GLY A  54
HIS A  55
GLY A 249
ASP A 251
 5CA  A 418 ( 4.9A)
5CA  A 418 (-3.3A)
5CA  A 418 (-4.3A)
5CA  A 418 (-3.0A)
5CA  A 418 (-3.1A)
 0.74A 1qu2A-3c8zA:
8.3		 1qu2A-3c8zA:
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.
1UW6_A_NCTA1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TYR A  78
THR A  58
TYR A  59
LEU A 252
 None
5CA  A 418 (-3.6A)
None
5CA  A 418 (-3.9A)
 1.47A 1uw6A-3c8zA:
undetectable
1uw6B-3c8zA:
undetectable		 1uw6A-3c8zA:
19.18
1uw6B-3c8zA:
19.18
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.
1UW6_D_NCTD1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TYR A  78
THR A  58
TYR A  59
LEU A 252
 None
5CA  A 418 (-3.6A)
None
5CA  A 418 (-3.9A)
 1.48A 1uw6D-3c8zA:
undetectable
1uw6E-3c8zA:
undetectable		 1uw6D-3c8zA:
19.18
1uw6E-3c8zA:
19.18
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.
1UW6_G_NCTG1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TYR A  78
THR A  58
TYR A  59
LEU A 252
 None
5CA  A 418 (-3.6A)
None
5CA  A 418 (-3.9A)
 1.46A 1uw6G-3c8zA:
undetectable
1uw6H-3c8zA:
undetectable		 1uw6G-3c8zA:
19.18
1uw6H-3c8zA:
19.18
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.
1UW6_P_NCTP1206_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TYR A  78
THR A  58
TYR A  59
LEU A 252
 None
5CA  A 418 (-3.6A)
None
5CA  A 418 (-3.9A)
 1.46A 1uw6P-3c8zA:
undetectable
1uw6Q-3c8zA:
undetectable		 1uw6P-3c8zA:
19.18
1uw6Q-3c8zA:
19.18
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.
1UW6_T_NCTT1208_1
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 LEU A 252
TYR A  78
THR A  58
TYR A  59
 5CA  A 418 (-3.9A)
None
5CA  A 418 (-3.6A)
None
 1.44A 1uw6P-3c8zA:
undetectable
1uw6T-3c8zA:
undetectable		 1uw6P-3c8zA:
19.18
1uw6T-3c8zA:
19.18
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 HIS A  52
GLY A  54
HIS A  55
GLY A 249
ASP A 251
 5CA  A 418 ( 4.9A)
5CA  A 418 (-3.3A)
5CA  A 418 (-4.3A)
5CA  A 418 (-3.0A)
5CA  A 418 (-3.1A)
 0.44A 2x1lA-3c8zA:
22.7		 2x1lA-3c8zA:
23.93
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.
2X1L_B_ADNB601_1
(METHIONYL-TRNA
SYNTHETASE)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 HIS A  52
GLY A  54
HIS A  55
GLY A 249
ASP A 251
 5CA  A 418 ( 4.9A)
5CA  A 418 (-3.3A)
5CA  A 418 (-4.3A)
5CA  A 418 (-3.0A)
5CA  A 418 (-3.1A)
 0.36A 2x1lB-3c8zA:
24.2		 2x1lB-3c8zA:
23.93
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.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		5 / 11 HIS A  52
GLY A  54
HIS A  55
GLY A 249
ASP A 251
 5CA  A 418 ( 4.9A)
5CA  A 418 (-3.3A)
5CA  A 418 (-4.3A)
5CA  A 418 (-3.0A)
5CA  A 418 (-3.1A)
 0.39A 2x1lC-3c8zA:
24.1		 2x1lC-3c8zA:
23.93
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.
3HKU_A_TORA300_2
(CARBONIC ANHYDRASE 2)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 GLU A 119
HIS A  89
THR A 117
 5CA  A 512 (-3.0A)
None
5CA  A 512 (-3.5A)
 0.88A 3hkuA-1nj1A:
undetectable		 3hkuA-1nj1A:
19.84
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.
3NDU_D_ROCD100_3
(PROTEASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 ARG A 271
VAL A 144
THR A 146
 5CA  A 512 (-4.4A)
None
None
 0.84A 3nduD-1nj1A:
undetectable		 3nduD-1nj1A:
13.02
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.
3P2K_A_SAMA6735_1
(16S RRNA METHYLASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		3 / 3 ASP A 159
GLU A 112
SER A 321
 None
None
5CA  A 439 ( 4.3A)
 0.82A 3p2kA-2i4nA:
undetectable		 3p2kA-2i4nA:
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.
4AWU_A_4CHA502_0
(OXIDOREDUCTASE,
FMN-BINDING)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 THR A 117
TYR A 123
LEU A 239
PHE A  93
 5CA  A 512 (-3.5A)
None
None
None
 1.32A 4awuA-1nj1A:
undetectable		 4awuA-1nj1A:
20.44
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.
4DF3_A_SAMA301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		3 / 3 TYR A  89
THR A 109
GLU A 142
 None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.2A)
 0.67A 4df3A-2i4nA:
undetectable		 4df3A-2i4nA:
22.35
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.
4DF3_B_SAMB301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		3 / 3 TYR A  89
THR A 109
GLU A 142
 None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.2A)
 0.66A 4df3B-2i4nA:
undetectable		 4df3B-2i4nA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 GLU A  96
VAL A  97
GLU A 168
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.96A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 GLU A  96
VAL A  97
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.55A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
GLU A 168
HIS A 170
PHE A 212
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.85A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.94A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PHE A  93
GLU A  96
VAL A  97
THR A 235
GLY A 267
 None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.27A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_A_HFGA1602_1
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 4 THR A 117
GLU A 119
ARG A 148
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
5CA  A 512 (-4.4A)
 0.36A 4hvcA-1nj1A:
43.9		 4hvcA-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
HIS A 170
PHE A 212
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.94A 4hvcB-1nj1A:
44.2		 4hvcB-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.91A 4hvcB-1nj1A:
44.2		 4hvcB-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 LEU A  83
GLU A  96
VAL A  97
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.99A 4hvcB-1nj1A:
44.2		 4hvcB-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.52A 4hvcB-1nj1A:
44.2		 4hvcB-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PHE A  93
GLU A  96
VAL A  97
THR A 235
GLY A 267
 None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.29A 4hvcB-1nj1A:
44.2		 4hvcB-1nj1A:
35.96
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.
4HVC_B_HFGB1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 105
GLU A  92
PRO A 108
SER A 315
GLY A 317
 None
None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.25A 4hvcB-2i4nA:
28.8		 4hvcB-2i4nA:
23.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4HVC_B_HFGB1602_1
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 5 THR A 117
GLU A 119
ARG A 148
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
5CA  A 512 (-4.4A)
 0.33A 4hvcB-1nj1A:
44.2		 4hvcB-1nj1A:
35.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 8 ARG A 148
GLN A 232
GLY A 234
THR A 235
ARG A 271
 5CA  A 512 (-2.9A)
5CA  A 512 (-4.2A)
5CA  A 512 (-3.6A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.47A 4k87A-1nj1A:
44.6		 4k87A-1nj1A:
37.52
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.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		4 / 8 ARG A 140
ARG A 151
PHE A 155
GLY A 284
 5CA  A 439 (-2.8A)
None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.3A)
 0.80A 4k87A-2i4nA:
28.7		 4k87A-2i4nA:
25.32
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.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		4 / 8 ARG A 140
PHE A 155
GLY A 284
ARG A 322
 5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.3A)
5CA  A 439 (-3.7A)
 0.63A 4k87A-2i4nA:
28.7		 4k87A-2i4nA:
25.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K88_A_HFGA602_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 GLU A  96
VAL A  97
PRO A 116
THR A 117
GLU A 119
ARG A 148
GLU A 168
 None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
 0.70A 4k88A-1nj1A:
42.8		 4k88A-1nj1A:
37.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K88_A_HFGA602_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
PRO A 116
THR A 117
GLU A 119
GLU A 168
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
None
 0.92A 4k88A-1nj1A:
42.8		 4k88A-1nj1A:
37.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K88_A_HFGA602_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 VAL A  97
PRO A 116
THR A 117
GLU A 119
ARG A 148
GLU A 168
HIS A 237
 None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.4A)
 0.57A 4k88A-1nj1A:
42.8		 4k88A-1nj1A:
37.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4K88_A_HFGA602_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
PRO A 116
THR A 117
GLU A 168
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.20A 4k88A-1nj1A:
42.8		 4k88A-1nj1A:
37.52
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.
4K88_A_HFGA602_0
(PROLINE--TRNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 GLU A  92
PRO A 108
THR A 109
GLU A 111
ARG A 140
 None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.6A)
5CA  A 439 (-2.8A)
 0.57A 4k88A-2i4nA:
28.1		 4k88A-2i4nA:
25.32
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.
4K88_A_HFGA602_0
(PROLINE--TRNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 PRO A 108
THR A 109
GLU A 111
ARG A 140
SER A 315
 None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
 0.51A 4k88A-2i4nA:
28.1		 4k88A-2i4nA:
25.32
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.
4M11_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 ILE A 233
LEU A 157
LEU A 231
TRP A  46
VAL A 160
 None
None
None
None
5CA  A 512 (-4.3A)
 1.41A 4m11D-1nj1A:
0.0		 4m11D-1nj1A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 GLY A 317
THR A  73
LEU A 156
GLY A 319
VAL A 320
 5CA  A 439 (-3.5A)
None
None
5CA  A 439 (-3.5A)
None
 0.93A 4o33A-2i4nA:
undetectable		 4o33A-2i4nA:
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 GLY A 317
THR A  73
LEU A 156
GLY A 319
VAL A 320
 5CA  A 439 (-3.5A)
None
None
5CA  A 439 (-3.5A)
None
 0.91A 4o3fA-2i4nA:
undetectable		 4o3fA-2i4nA:
21.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A  96
VAL A  97
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.88A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 GLU A  96
VAL A  97
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.49A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
HIS A 170
PHE A 212
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.00A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.06A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PHE A  93
GLU A  96
PHE A 212
THR A 235
GLY A 267
 None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.29A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4OLF_A_HFGA802_1
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 4 THR A 117
GLU A 119
ARG A 148
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
5CA  A 512 (-4.4A)
 0.51A 4olfA-1nj1A:
44.2		 4olfA-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
THR A 117
ARG A 148
HIS A 170
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.94A 4q15A-1nj1A:
43.8		 4q15A-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 LEU A  83
GLU A  96
HIS A 170
PHE A 212
GLY A 267
 None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 1.05A 4q15A-1nj1A:
43.8		 4q15A-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 117
ARG A 148
HIS A 170
GLY A 267
 None
None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.60A 4q15A-1nj1A:
43.8		 4q15A-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
PRO A 116
THR A 117
HIS A 170
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.21A 4q15A-1nj1A:
43.8		 4q15A-1nj1A:
32.65
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.
4Q15_A_HFGA803_0
(PROLINE--TRNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		7 / 12 LEU A 105
GLU A  92
PRO A 108
THR A 109
ARG A 140
SER A 315
GLY A 317
 None
None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.11A 4q15A-2i4nA:
29.5		 4q15A-2i4nA:
23.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_A_HFGA803_1
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 GLU A 119
THR A 235
HIS A 237
 5CA  A 512 (-3.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.40A 4q15A-1nj1A:
43.8		 4q15A-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
THR A 117
ARG A 148
GLU A 168
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.92A 4q15B-1nj1A:
43.6		 4q15B-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 LEU A  83
GLU A  96
GLU A 168
PHE A 212
GLY A 267
 None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 1.05A 4q15B-1nj1A:
43.6		 4q15B-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 117
ARG A 148
GLU A 168
GLY A 267
 None
None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.59A 4q15B-1nj1A:
43.6		 4q15B-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
PRO A 116
THR A 117
GLU A 168
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.23A 4q15B-1nj1A:
43.6		 4q15B-1nj1A:
32.65
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.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		7 / 12 LEU A 105
GLU A  92
PRO A 108
THR A 109
ARG A 140
SER A 315
GLY A 317
 None
None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.13A 4q15B-2i4nA:
29.6		 4q15B-2i4nA:
23.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q15_B_HFGB803_1
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 GLU A 119
THR A 235
HIS A 237
 5CA  A 512 (-3.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.44A 4q15B-1nj1A:
43.6		 4q15B-1nj1A:
32.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
GLU A 168
HIS A 170
PHE A 212
GLY A 267
 5CA  A 512 (-4.1A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 0.82A 4ydqA-1nj1A:
43.9		 4ydqA-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
ARG A 148
GLU A 168
HIS A 170
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.9A)
 0.96A 4ydqA-1nj1A:
43.9		 4ydqA-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 LEU A  83
GLU A  96
VAL A  97
GLU A 168
HIS A 170
PHE A 212
GLY A 267
 None
None
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 0.94A 4ydqA-1nj1A:
43.9		 4ydqA-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
ARG A 148
GLU A 168
HIS A 170
GLY A 267
 None
None
None
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.9A)
 0.57A 4ydqA-1nj1A:
43.9		 4ydqA-1nj1A:
31.21
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.
4YDQ_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		6 / 12 LEU A 105
GLU A  92
PRO A 108
ARG A 140
SER A 315
GLY A 317
 None
None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.06A 4ydqA-2i4nA:
28.4		 4ydqA-2i4nA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_A_HFGA802_1
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 4 THR A 117
GLU A 119
THR A 235
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.50A 4ydqA-1nj1A:
43.9		 4ydqA-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 GLU A  96
VAL A  97
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
GLY A 267
 None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.9A)
 0.43A 4ydqB-1nj1A:
44.2		 4ydqB-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
 0.98A 4ydqB-1nj1A:
44.2		 4ydqB-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
GLU A 168
HIS A 170
PHE A 212
GLY A 267
 None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 0.84A 4ydqB-1nj1A:
44.2		 4ydqB-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 VAL A  97
PRO A 116
THR A 117
GLU A 168
HIS A 170
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
None
 1.26A 4ydqB-1nj1A:
44.2		 4ydqB-1nj1A:
31.21
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.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		6 / 12 GLU A  92
PRO A 108
THR A 109
ARG A 140
SER A 315
GLY A 317
 None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 0.42A 4ydqB-2i4nA:
17.1		 4ydqB-2i4nA:
22.08
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.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 GLU A 142
THR A 109
ARG A 140
SER A 315
GLY A 317
 5CA  A 439 (-3.2A)
5CA  A 439 (-3.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.42A 4ydqB-2i4nA:
17.1		 4ydqB-2i4nA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YDQ_B_HFGB802_1
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 GLU A 119
THR A 235
HIS A 237
 5CA  A 512 (-3.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.36A 4ydqB-1nj1A:
44.2		 4ydqB-1nj1A:
31.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
PRO A 116
ARG A 148
GLU A 168
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.85A 5f9zA-1nj1A:
42.5		 5f9zA-1nj1A:
35.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 LEU A  83
GLY A  92
GLU A  96
VAL A  97
ARG A 148
PHE A 212
GLY A 267
 None
None
None
None
5CA  A 512 (-2.9A)
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 1.21A 5f9zA-1nj1A:
42.5		 5f9zA-1nj1A:
35.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 LEU A  83
GLY A  92
GLU A  96
VAL A  97
PRO A 116
ARG A 148
GLU A 168
GLY A 267
 None
None
None
None
None
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.84A 5f9zA-1nj1A:
42.5		 5f9zA-1nj1A:
35.70
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.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 GLU A  92
PRO A 108
ARG A 140
SER A 315
GLY A 317
 None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 0.40A 5f9zA-2i4nA:
28.0		 5f9zA-2i4nA:
23.74
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.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 105
GLU A  92
PRO A 108
ARG A 140
GLY A 317
 None
None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.5A)
 1.12A 5f9zA-2i4nA:
28.0		 5f9zA-2i4nA:
23.74
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.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 105
GLU A  92
PRO A 108
GLU A 111
GLY A 203
 None
None
None
5CA  A 439 (-2.6A)
None
 1.31A 5f9zA-2i4nA:
28.0		 5f9zA-2i4nA:
23.74
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.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 105
GLY A  90
GLU A  92
GLU A 111
GLY A 203
 None
None
None
5CA  A 439 (-2.6A)
None
 1.34A 5f9zA-2i4nA:
28.0		 5f9zA-2i4nA:
23.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_A_HFGA702_1
(AMINOACYL-TRNA
SYNTHETASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 4 THR A 117
GLU A 119
THR A 235
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.52A 5f9zA-1nj1A:
42.5		 5f9zA-1nj1A:
35.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
ARG A 148
GLU A 168
PHE A 212
GLY A 267
 5CA  A 512 (-4.1A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 1.03A 5f9zB-1nj1A:
42.9		 5f9zB-1nj1A:
35.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
PRO A 116
ARG A 148
GLU A 168
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.90A 5f9zB-1nj1A:
42.9		 5f9zB-1nj1A:
35.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 LEU A  83
GLU A  96
VAL A  97
ARG A 148
GLU A 168
PHE A 212
GLY A 267
 None
None
None
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 1.01A 5f9zB-1nj1A:
42.9		 5f9zB-1nj1A:
35.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
ARG A 148
GLU A 168
GLY A 267
 None
None
None
None
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.9A)
 0.60A 5f9zB-1nj1A:
42.9		 5f9zB-1nj1A:
35.70
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.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 GLU A  92
PRO A 108
ARG A 140
SER A 315
GLY A 317
 None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 0.47A 5f9zB-2i4nA:
28.2		 5f9zB-2i4nA:
23.74
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.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 105
GLU A  92
PRO A 108
ARG A 140
GLY A 317
 None
None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.5A)
 1.12A 5f9zB-2i4nA:
28.2		 5f9zB-2i4nA:
23.74
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.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 105
GLU A  92
PRO A 108
GLU A 111
GLY A 203
 None
None
None
5CA  A 439 (-2.6A)
None
 1.33A 5f9zB-2i4nA:
28.2		 5f9zB-2i4nA:
23.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5F9Z_B_HFGB703_1
(AMINOACYL-TRNA
SYNTHETASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 4 THR A 117
GLU A 119
THR A 235
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.52A 5f9zB-1nj1A:
42.9		 5f9zB-1nj1A:
35.70
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.
5HG0_A_SAMA301_0
(PANTOTHENATE
SYNTHETASE)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 HIS A  52
GLY A  54
TYR A  48
GLY A 249
ASP A 251
 5CA  A 418 ( 4.9A)
5CA  A 418 (-3.3A)
None
5CA  A 418 (-3.0A)
5CA  A 418 (-3.1A)
 1.14A 5hg0A-3c8zA:
5.7		 5hg0A-3c8zA:
20.10
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.
5HG0_B_SAMB301_0
(PANTOTHENATE
SYNTHETASE)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		6 / 12 HIS A  52
GLY A  54
HIS A  55
TYR A  48
GLY A 249
ASP A 251
 5CA  A 418 ( 4.9A)
5CA  A 418 (-3.3A)
5CA  A 418 (-4.3A)
None
5CA  A 418 (-3.0A)
5CA  A 418 (-3.1A)
 1.10A 5hg0B-3c8zA:
5.7		 5hg0B-3c8zA:
20.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5IFU_A_GBMA801_1
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PHE A  20
ARG A 271
ILE A 273
ILE A 277
TYR A 481
 None
5CA  A 512 (-4.4A)
None
None
None
 0.69A 5ifuA-1nj1A:
38.9		 5ifuA-1nj1A:
32.65
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.
5IGZ_A_SPRA404_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 9 LEU A 182
ILE A 246
ILE A 286
GLU A 209
VAL A 283
 None
None
None
None
5CA  A 439 (-4.5A)
 1.42A 5igzA-2i4nA:
undetectable		 5igzA-2i4nA:
20.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 GLU A  96
VAL A  97
PRO A 116
ARG A 148
GLU A 168
HIS A 170
GLY A 267
 None
None
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.9A)
 0.60A 5xioA-1nj1A:
42.7		 5xioA-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A  96
VAL A  97
PRO A 116
ARG A 148
HIS A 170
THR A 218
 None
None
None
5CA  A 512 (-2.9A)
None
None
 1.32A 5xioA-1nj1A:
42.7		 5xioA-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.94A 5xioA-1nj1A:
42.7		 5xioA-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 VAL A  97
PRO A 116
ARG A 148
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.49A 5xioA-1nj1A:
42.7		 5xioA-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_A_HFGA801_1
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 THR A 117
GLU A 119
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.46A 5xioA-1nj1A:
42.8		 5xioA-1nj1A:
34.27
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.
5XIO_A_HFGA801_1
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 THR A  83
GLU A 230
HIS A 228
 5CA  A 418 (-3.4A)
None
None
 0.91A 5xioA-3c8zA:
undetectable		 5xioA-3c8zA:
19.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 GLU A  96
VAL A  97
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
THR A 235
 None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
 0.77A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A  96
VAL A  97
PRO A 116
THR A 117
HIS A 170
THR A 218
 None
None
None
5CA  A 512 (-3.5A)
None
None
 1.03A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
 0.86A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
HIS A 170
PHE A 212
THR A 235
HIS A 237
 None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.90A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 VAL A  97
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
THR A 235
HIS A 237
 None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.56A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIO_B_HFGB802_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
PRO A 116
THR A 117
GLU A 168
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.24A 5xioB-1nj1A:
42.9		 5xioB-1nj1A:
34.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
ARG A 148
HIS A 170
PHE A 212
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.14A 5xipA-1nj1A:
42.2		 5xipA-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 GLU A 150
PRO A 116
THR A 117
ARG A 148
HIS A 170
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 1.02A 5xipA-1nj1A:
42.2		 5xipA-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 LEU A  83
GLU A  96
ARG A 148
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.93A 5xipA-1nj1A:
42.2		 5xipA-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		9 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 117
ARG A 148
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.58A 5xipA-1nj1A:
42.2		 5xipA-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
PRO A 116
THR A 117
HIS A 170
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.24A 5xipA-1nj1A:
42.2		 5xipA-1nj1A:
34.79
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.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		7 / 12 LEU A 105
GLU A  92
PRO A 108
THR A 109
ARG A 140
SER A 315
GLY A 317
 None
None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.08A 5xipA-2i4nA:
28.2		 5xipA-2i4nA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		9 / 12 GLU A  96
VAL A  97
PRO A 116
THR A 117
GLU A 119
ARG A 148
HIS A 170
THR A 235
HIS A 237
 None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.80A 5xipB-1nj1A:
43.2		 5xipB-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 119
ARG A 148
HIS A 170
PHE A 212
THR A 235
HIS A 237
 5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.77A 5xipB-1nj1A:
43.2		 5xipB-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
GLU A 119
ARG A 148
HIS A 170
PHE A 212
HIS A 237
 5CA  A 512 (-4.1A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-4.4A)
 1.14A 5xipB-1nj1A:
43.2		 5xipB-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 GLU A 150
PRO A 116
THR A 117
GLU A 119
ARG A 148
HIS A 170
HIS A 237
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.4A)
 1.02A 5xipB-1nj1A:
43.2		 5xipB-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
PRO A 116
THR A 117
HIS A 170
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.22A 5xipB-1nj1A:
43.2		 5xipB-1nj1A:
34.79
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.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 GLU A  92
PRO A 108
THR A 109
GLU A 111
ARG A 140
 None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.6A)
5CA  A 439 (-2.8A)
 0.48A 5xipB-2i4nA:
27.9		 5xipB-2i4nA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
GLU A 119
GLU A 168
HIS A 170
PHE A 212
GLY A 267
 5CA  A 512 (-4.1A)
5CA  A 512 (-3.0A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 0.97A 5xipC-1nj1A:
43.2		 5xipC-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 GLU A 150
PRO A 116
THR A 117
GLU A 119
GLU A 168
HIS A 170
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
None
None
5CA  A 512 (-3.9A)
 0.84A 5xipC-1nj1A:
43.2		 5xipC-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		9 / 12 LEU A  83
GLU A  96
VAL A  97
GLU A 119
GLU A 168
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
None
5CA  A 512 (-3.0A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.93A 5xipC-1nj1A:
43.2		 5xipC-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
GLU A 119
HIS A 170
THR A 218
 None
None
None
None
5CA  A 512 (-3.0A)
None
None
 1.21A 5xipC-1nj1A:
43.2		 5xipC-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		10 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 117
GLU A 119
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.59A 5xipC-1nj1A:
43.2		 5xipC-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
PRO A 116
THR A 117
GLU A 168
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.18A 5xipC-1nj1A:
43.2		 5xipC-1nj1A:
34.79
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.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 GLU A  92
PRO A 108
THR A 109
GLU A 111
GLY A 317
 None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.6A)
5CA  A 439 (-3.5A)
 0.47A 5xipC-2i4nA:
28.3		 5xipC-2i4nA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XIP_C_HFGC1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 105
GLU A  92
PRO A 108
THR A 109
GLY A 317
 None
None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.17A 5xipC-2i4nA:
28.3		 5xipC-2i4nA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
GLU A 119
ARG A 148
GLU A 168
PHE A 212
 5CA  A 512 (-4.1A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
 1.16A 5xipD-1nj1A:
43.5		 5xipD-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
THR A 117
GLU A 119
ARG A 148
GLU A 168
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
 0.94A 5xipD-1nj1A:
43.5		 5xipD-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		9 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 117
GLU A 119
ARG A 148
GLU A 168
THR A 235
 None
None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-3.0A)
 0.70A 5xipD-1nj1A:
43.5		 5xipD-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 117
GLU A 119
THR A 218
 None
None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
None
 1.20A 5xipD-1nj1A:
43.5		 5xipD-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		7 / 12 LEU A  83
VAL A  97
GLU A 119
ARG A 148
GLU A 168
PHE A 212
THR A 235
 None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
 0.86A 5xipD-1nj1A:
43.5		 5xipD-1nj1A:
34.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
PRO A 116
THR A 117
GLU A 168
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
 1.19A 5xipD-1nj1A:
43.5		 5xipD-1nj1A:
34.79
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.
5XIP_D_HFGD1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 GLU A  92
PRO A 108
THR A 109
GLU A 111
ARG A 140
 None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.6A)
5CA  A 439 (-2.8A)
 0.42A 5xipD-2i4nA:
28.7		 5xipD-2i4nA:
21.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
GLU A 168
HIS A 170
PHE A 212
GLY A 267
 5CA  A 512 (-4.1A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 0.85A 5xiqA-1nj1A:
44.2		 5xiqA-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
PRO A 116
GLU A 168
HIS A 170
GLY A 267
 5CA  A 512 (-4.1A)
None
None
None
5CA  A 512 (-3.9A)
 0.88A 5xiqA-1nj1A:
44.2		 5xiqA-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 LEU A  83
GLU A  96
VAL A  97
GLU A 168
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.99A 5xiqA-1nj1A:
44.2		 5xiqA-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.66A 5xiqA-1nj1A:
44.2		 5xiqA-1nj1A:
36.42
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.
5XIQ_A_HFGA1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 105
GLU A  92
PRO A 108
SER A 315
GLY A 317
 None
None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.5A)
 1.27A 5xiqA-2i4nA:
28.8		 5xiqA-2i4nA:
21.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_A_HFGA1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 4 THR A 117
GLU A 119
ARG A 148
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
5CA  A 512 (-4.4A)
 0.50A 5xiqA-1nj1A:
44.2		 5xiqA-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_B_HFGB1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
PRO A 116
ARG A 148
GLU A 168
HIS A 170
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-2.9A)
None
None
 0.84A 5xiqB-1nj1A:
44.1		 5xiqB-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_B_HFGB1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
ARG A 148
GLU A 168
HIS A 170
THR A 235
 None
None
None
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
 0.68A 5xiqB-1nj1A:
44.1		 5xiqB-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_B_HFGB1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 LEU A  83
VAL A  97
GLU A 168
HIS A 170
PHE A 212
THR A 235
 None
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
 0.83A 5xiqB-1nj1A:
44.1		 5xiqB-1nj1A:
36.42
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.
5XIQ_B_HFGB1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 105
GLU A  92
PRO A 108
ARG A 140
SER A 315
 None
None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
 1.19A 5xiqB-2i4nA:
28.3		 5xiqB-2i4nA:
21.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_B_HFGB1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 THR A 117
GLU A 119
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.41A 5xiqB-1nj1A:
44.1		 5xiqB-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_C_HFGC1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A  96
VAL A  97
GLU A 168
HIS A 170
PHE A 212
THR A 235
 None
None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
 1.04A 5xiqC-1nj1A:
44.4		 5xiqC-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_C_HFGC1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 GLU A  96
VAL A  97
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
THR A 235
 None
None
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
 0.66A 5xiqC-1nj1A:
44.4		 5xiqC-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_C_HFGC1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A  96
VAL A  97
PRO A 116
THR A 117
THR A 218
 None
None
None
5CA  A 512 (-3.5A)
None
 0.92A 5xiqC-1nj1A:
44.4		 5xiqC-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_C_HFGC1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
THR A 117
ARG A 148
GLU A 168
HIS A 170
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-3.5A)
5CA  A 512 (-2.9A)
None
None
 0.85A 5xiqC-1nj1A:
44.4		 5xiqC-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_C_HFGC1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 VAL A  97
PRO A 116
THR A 117
GLU A 168
HIS A 170
PHE A 243
 None
None
5CA  A 512 (-3.5A)
None
None
None
 1.21A 5xiqC-1nj1A:
44.4		 5xiqC-1nj1A:
36.42
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.
5XIQ_C_HFGC1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 GLU A  92
PRO A 108
THR A 109
ARG A 140
SER A 315
 None
None
5CA  A 439 (-3.6A)
5CA  A 439 (-2.8A)
5CA  A 439 (-3.6A)
 0.41A 5xiqC-2i4nA:
28.5		 5xiqC-2i4nA:
21.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLU A 150
GLU A 168
HIS A 170
PHE A 212
GLY A 267
 5CA  A 512 (-4.1A)
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.9A)
 0.82A 5xiqD-1nj1A:
43.8		 5xiqD-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
ARG A 148
GLU A 168
HIS A 170
GLY A 267
 5CA  A 512 (-4.1A)
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.9A)
 0.92A 5xiqD-1nj1A:
43.8		 5xiqD-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		9 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
ARG A 148
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
5CA  A 512 (-2.9A)
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.67A 5xiqD-1nj1A:
43.8		 5xiqD-1nj1A:
36.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 LEU A  83
GLU A 168
HIS A 170
PHE A 212
THR A 235
GLY A 267
 None
None
None
5CA  A 512 (-4.0A)
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.85A 5xiqD-1nj1A:
43.8		 5xiqD-1nj1A:
36.42
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.
5XIQ_D_HFGD1002_0
(PROLYL-TRNA
SYNTHETASE (PRORS))		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 105
GLU A  92
PRO A 108
ARG A 140
GLY A 317
 None
None
None
5CA  A 439 (-2.8A)
5CA  A 439 (-3.5A)
 1.02A 5xiqD-2i4nA:
28.7		 5xiqD-2i4nA:
21.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5XIQ_D_HFGD1002_1
(PROLYL-TRNA
SYNTHETASE (PRORS))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 THR A 117
GLU A 119
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-4.4A)
 0.45A 5xiqD-1nj1A:
43.8		 5xiqD-1nj1A:
36.42
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.
5ZHM_B_SAMB301_1
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A  60
GLY A 281
ILE A 313
LEU A  53
GLY A  54
 None
None
None
None
5CA  A 418 (-3.3A)
 0.87A 5zhmB-3c8zA:
undetectable		 5zhmB-3c8zA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 5 THR A 218
THR A 117
HIS A  89
LEU A 239
 None
5CA  A 512 (-3.5A)
None
None
 1.37A 6aphA-1nj1A:
undetectable		 6aphA-1nj1A:
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.
6BNI_A_ADNA602_1
(LYSINE--TRNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		6 / 10 ARG A 140
GLU A 142
PHE A 155
GLU A 282
GLY A 319
ARG A 322
 5CA  A 439 (-2.8A)
5CA  A 439 (-3.2A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.7A)
5CA  A 439 (-3.5A)
5CA  A 439 (-3.7A)
 0.70A 6bniA-2i4nA:
9.4		 6bniA-2i4nA:
10.41
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.
6BNI_B_ADNB602_1
(LYSINE--TRNA LIGASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		6 / 10 ARG A 140
GLU A 142
PHE A 155
GLU A 282
GLY A 319
ARG A 322
 5CA  A 439 (-2.8A)
5CA  A 439 (-3.2A)
5CA  A 439 (-3.6A)
5CA  A 439 (-3.7A)
5CA  A 439 (-3.5A)
5CA  A 439 (-3.7A)
 0.73A 6bniB-2i4nA:
11.5		 6bniB-2i4nA:
10.41
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.
6CNK_A_NCTA405_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 THR A 120
CYH A 265
TYR A 123
THR A 117
 None
5CA  A 512 ( 3.8A)
None
5CA  A 512 (-3.5A)
 1.46A 6cnkA-1nj1A:
undetectable
6cnkB-1nj1A:
0.0		 6cnkA-1nj1A:
9.35
6cnkB-1nj1A:
9.35
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.
6EF6_A_ACTA405_0
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		4 / 6 THR A 109
ARG A 140
ARG A  85
ILE A 202
 5CA  A 439 (-3.6A)
5CA  A 439 (-2.8A)
None
5CA  A 439 (-4.2A)
 1.25A 6ef6A-2i4nA:
0.9		 6ef6A-2i4nA:
25.11
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.
6GBN_B_ADNB501_2
(-)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 5 THR A 218
THR A 117
HIS A  89
LEU A 239
 None
5CA  A 512 (-3.5A)
None
None
 1.35A 6gbnB-1nj1A:
undetectable		 6gbnB-1nj1A:
21.83
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.
6MN4_C_AM2C301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 3c8z CYSTEINYL-TRNA
SYNTHETASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 HIS A  55
ARG A 304
ASP A 114
GLU A 113
 5CA  A 418 (-4.3A)
None
None
None
 1.20A 6mn4C-3c8zA:
undetectable		 6mn4C-3c8zA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		6 / 12 GLU A 150
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
 5CA  A 512 (-4.1A)
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.87A 6mn8A-1nj1A:
39.9		 6mn8A-1nj1A:
34.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		8 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
GLU A 168
HIS A 170
THR A 235
GLY A 267
 None
None
None
None
None
None
5CA  A 512 (-3.0A)
5CA  A 512 (-3.9A)
 0.55A 6mn8A-1nj1A:
39.9		 6mn8A-1nj1A:
34.44
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.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)		 2i4n PROLINE-TRNA LIGASE
(Rhodopseudomonas
palustris) 		5 / 12 LEU A 105
GLU A  92
PRO A 108
GLU A 111
GLY A 203
 None
None
None
5CA  A 439 (-2.6A)
None
 1.41A 6mn8A-2i4nA:
32.9		 6mn8A-2i4nA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MN8_A_HFGA603_1
(UNCHARACTERIZED
PROTEIN)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 4 THR A 117
GLU A 119
ARG A 148
HIS A 237
 5CA  A 512 (-3.5A)
5CA  A 512 (-3.0A)
5CA  A 512 (-2.9A)
5CA  A 512 (-4.4A)
 0.42A 6mn8A-1nj1A:
39.9		 6mn8A-1nj1A:
34.44