SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1nj1'

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.
1EPB_B_9CRB165_1
(EPIDIDYMAL RETINOIC
ACID-BINDING PROTEIN)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 PHE A 193
ILE A  60
VAL A 272
ILE A 273
ILE A 277
 None
 1.03A 1epbB-1nj1A:
undetectable		 1epbB-1nj1A:
15.94
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.
1NSI_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 ILE A  27
TRP A  23
PHE A  20
GLU A  22
 None
 1.29A 1nsiA-1nj1A:
undetectable
1nsiB-1nj1A:
undetectable		 1nsiA-1nj1A:
22.44
1nsiB-1nj1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NSI_B_H4BB601_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.28A 1nsiA-1nj1A:
0.0
1nsiB-1nj1A:
0.0		 1nsiA-1nj1A:
22.44
1nsiB-1nj1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NSI_C_H4BC602_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 ILE A  27
TRP A  23
PHE A  20
GLU A  22
 None
 1.35A 1nsiC-1nj1A:
0.0
1nsiD-1nj1A:
0.2		 1nsiC-1nj1A:
22.44
1nsiD-1nj1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NSI_D_H4BD603_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.30A 1nsiC-1nj1A:
0.0
1nsiD-1nj1A:
0.2		 1nsiC-1nj1A:
22.44
1nsiD-1nj1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UUJ_B_ACTB1077_0
(PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
ALPHA SUBUNIT)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 ARG A 155
TYR A 481
LYS A 229
 None
 0.96A 1uujB-1nj1A:
undetectable		 1uujB-1nj1A:
11.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.16A 1v54A-1nj1A:
undetectable
1v54C-1nj1A:
undetectable		 1v54A-1nj1A:
20.07
1v54C-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.16A 1v54N-1nj1A:
undetectable
1v54P-1nj1A:
undetectable		 1v54N-1nj1A:
20.07
1v54P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.18A 1v55A-1nj1A:
undetectable
1v55C-1nj1A:
undetectable		 1v55A-1nj1A:
20.07
1v55C-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 1v55C-1nj1A:
undetectable
1v55N-1nj1A:
undetectable
1v55P-1nj1A:
undetectable		 1v55C-1nj1A:
18.34
1v55N-1nj1A:
20.07
1v55P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 2dyrA-1nj1A:
undetectable
2dyrC-1nj1A:
undetectable		 2dyrA-1nj1A:
20.07
2dyrC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.16A 2dyrN-1nj1A:
undetectable
2dyrP-1nj1A:
undetectable		 2dyrN-1nj1A:
20.07
2dyrP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.16A 2dysA-1nj1A:
undetectable
2dysC-1nj1A:
undetectable		 2dysA-1nj1A:
20.07
2dysC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYS_P_CHDP304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.14A 2dysN-1nj1A:
undetectable
2dysP-1nj1A:
undetectable		 2dysN-1nj1A:
20.07
2dysP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.14A 2eijA-1nj1A:
undetectable
2eijC-1nj1A:
undetectable		 2eijA-1nj1A:
20.07
2eijC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIJ_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.14A 2eijN-1nj1A:
undetectable
2eijP-1nj1A:
undetectable		 2eijN-1nj1A:
20.07
2eijP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 2eikA-1nj1A:
undetectable
2eikC-1nj1A:
undetectable		 2eikA-1nj1A:
20.07
2eikC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.15A 2eikN-1nj1A:
undetectable
2eikP-1nj1A:
undetectable		 2eikN-1nj1A:
20.07
2eikP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.18A 2eilA-1nj1A:
undetectable
2eilC-1nj1A:
undetectable		 2eilA-1nj1A:
20.07
2eilC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.15A 2eilN-1nj1A:
undetectable
2eilP-1nj1A:
undetectable		 2eilN-1nj1A:
20.07
2eilP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.16A 2eimA-1nj1A:
undetectable
2eimC-1nj1A:
undetectable		 2eimA-1nj1A:
20.07
2eimC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.15A 2eimN-1nj1A:
0.0
2eimP-1nj1A:
undetectable		 2eimN-1nj1A:
20.07
2eimP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 2einA-1nj1A:
undetectable
2einC-1nj1A:
undetectable		 2einA-1nj1A:
20.07
2einC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 2einN-1nj1A:
0.0
2einP-1nj1A:
undetectable		 2einN-1nj1A:
20.07
2einP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NSI_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 ILE A  27
TRP A  23
PHE A  20
GLU A  22
 None
 1.28A 2nsiA-1nj1A:
undetectable
2nsiB-1nj1A:
undetectable		 2nsiA-1nj1A:
22.44
2nsiB-1nj1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NSI_B_H4BB601_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.30A 2nsiA-1nj1A:
0.0
2nsiB-1nj1A:
0.3		 2nsiA-1nj1A:
22.44
2nsiB-1nj1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NSI_C_H4BC602_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 ILE A  27
TRP A  23
PHE A  20
GLU A  22
 None
 1.32A 2nsiC-1nj1A:
undetectable
2nsiD-1nj1A:
undetectable		 2nsiC-1nj1A:
22.44
2nsiD-1nj1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NSI_D_H4BD603_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.30A 2nsiC-1nj1A:
undetectable
2nsiD-1nj1A:
undetectable		 2nsiC-1nj1A:
22.44
2nsiD-1nj1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OXT_C_SAMC300_0
(NUCLEOSIDE-2'-O-METH
YLTRANSFERASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 GLY A 442
ILE A 453
ASP A 444
VAL A 445
LYS A 448
 None
 0.93A 2oxtC-1nj1A:
undetectable		 2oxtC-1nj1A:
20.55
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.
2Y69_A_CHDA1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.14A 2y69A-1nj1A:
undetectable
2y69C-1nj1A:
undetectable		 2y69A-1nj1A:
20.07
2y69C-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.18A 2y69C-1nj1A:
undetectable
2y69N-1nj1A:
undetectable
2y69P-1nj1A:
undetectable		 2y69C-1nj1A:
18.34
2y69N-1nj1A:
20.07
2y69P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 2zxwA-1nj1A:
undetectable
2zxwC-1nj1A:
undetectable		 2zxwA-1nj1A:
20.07
2zxwC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZXW_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 2zxwN-1nj1A:
undetectable
2zxwP-1nj1A:
undetectable		 2zxwN-1nj1A:
20.07
2zxwP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.20A 3abkA-1nj1A:
0.0
3abkC-1nj1A:
undetectable		 3abkA-1nj1A:
20.07
3abkC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.16A 3abkN-1nj1A:
undetectable
3abkP-1nj1A:
undetectable		 3abkN-1nj1A:
20.07
3abkP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.18A 3ablA-1nj1A:
undetectable
3ablC-1nj1A:
undetectable
3ablP-1nj1A:
undetectable		 3ablA-1nj1A:
20.07
3ablC-1nj1A:
18.34
3ablP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.14A 3ablC-1nj1A:
undetectable
3ablN-1nj1A:
undetectable
3ablP-1nj1A:
undetectable		 3ablC-1nj1A:
18.34
3ablN-1nj1A:
20.07
3ablP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 3abmA-1nj1A:
undetectable
3abmC-1nj1A:
undetectable
3abmP-1nj1A:
undetectable		 3abmA-1nj1A:
20.07
3abmC-1nj1A:
18.34
3abmP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 3abmN-1nj1A:
0.0
3abmP-1nj1A:
undetectable		 3abmN-1nj1A:
20.07
3abmP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.21A 3ag1A-1nj1A:
undetectable
3ag1C-1nj1A:
undetectable		 3ag1A-1nj1A:
20.07
3ag1C-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.21A 3ag1N-1nj1A:
undetectable
3ag1P-1nj1A:
undetectable		 3ag1N-1nj1A:
20.07
3ag1P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 3ag2A-1nj1A:
undetectable
3ag2C-1nj1A:
undetectable		 3ag2A-1nj1A:
20.07
3ag2C-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG2_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 3ag2N-1nj1A:
undetectable
3ag2P-1nj1A:
undetectable		 3ag2N-1nj1A:
20.07
3ag2P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.20A 3ag3A-1nj1A:
0.0
3ag3C-1nj1A:
undetectable		 3ag3A-1nj1A:
20.07
3ag3C-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG3_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.16A 3ag3N-1nj1A:
undetectable
3ag3P-1nj1A:
undetectable		 3ag3N-1nj1A:
20.07
3ag3P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 3ag4A-1nj1A:
0.0
3ag4C-1nj1A:
undetectable		 3ag4A-1nj1A:
20.07
3ag4C-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.18A 3ag4N-1nj1A:
undetectable
3ag4P-1nj1A:
undetectable		 3ag4N-1nj1A:
20.07
3ag4P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.20A 3asnA-1nj1A:
undetectable
3asnC-1nj1A:
undetectable		 3asnA-1nj1A:
20.07
3asnC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 3asnC-1nj1A:
undetectable
3asnN-1nj1A:
undetectable
3asnP-1nj1A:
undetectable		 3asnC-1nj1A:
18.34
3asnN-1nj1A:
20.07
3asnP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 3asoA-1nj1A:
undetectable
3asoC-1nj1A:
undetectable
3asoP-1nj1A:
undetectable		 3asoA-1nj1A:
20.07
3asoC-1nj1A:
18.34
3asoP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ASO_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 3asoC-1nj1A:
undetectable
3asoN-1nj1A:
0.0
3asoP-1nj1A:
undetectable		 3asoC-1nj1A:
18.34
3asoN-1nj1A:
20.07
3asoP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E7G_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 ILE A  27
TRP A  23
PHE A  20
GLU A  22
 None
 1.27A 3e7gA-1nj1A:
undetectable
3e7gB-1nj1A:
undetectable		 3e7gA-1nj1A:
22.48
3e7gB-1nj1A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E7G_B_H4BB1902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.28A 3e7gA-1nj1A:
undetectable
3e7gB-1nj1A:
undetectable		 3e7gA-1nj1A:
22.48
3e7gB-1nj1A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E7G_C_H4BC2902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 ILE A  27
TRP A  23
PHE A  20
GLU A  22
 None
 1.28A 3e7gC-1nj1A:
0.3
3e7gD-1nj1A:
0.1		 3e7gC-1nj1A:
22.48
3e7gD-1nj1A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E7G_D_H4BD3902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.30A 3e7gC-1nj1A:
undetectable
3e7gD-1nj1A:
undetectable		 3e7gC-1nj1A:
22.48
3e7gD-1nj1A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
3R9T_B_BEZB264_0
(ECHA1_1)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 ILE A  33
LEU A 286
ALA A 294
ALA A 293
 None
 0.79A 3r9tB-1nj1A:
undetectable		 3r9tB-1nj1A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3V_A_TOPA193_1
(DIHYDROFOLATE
REDUCTASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 5 ASP A 222
LEU A 202
ILE A 431
PHE A 433
 None
 1.23A 3s3vA-1nj1A:
0.0		 3s3vA-1nj1A:
16.70
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.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 3wg7A-1nj1A:
0.0
3wg7C-1nj1A:
undetectable
3wg7P-1nj1A:
undetectable		 3wg7A-1nj1A:
20.07
3wg7C-1nj1A:
18.34
3wg7P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 3wg7C-1nj1A:
undetectable
3wg7N-1nj1A:
undetectable
3wg7P-1nj1A:
undetectable		 3wg7C-1nj1A:
18.34
3wg7N-1nj1A:
20.07
3wg7P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.16A 3x2qA-1nj1A:
0.0
3x2qC-1nj1A:
undetectable
3x2qP-1nj1A:
undetectable		 3x2qA-1nj1A:
20.07
3x2qC-1nj1A:
18.34
3x2qP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_P_CHDP308_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 3x2qC-1nj1A:
undetectable
3x2qN-1nj1A:
undetectable
3x2qP-1nj1A:
undetectable		 3x2qC-1nj1A:
18.34
3x2qN-1nj1A:
20.07
3x2qP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
4CX7_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.27A 4cx7A-1nj1A:
undetectable
4cx7B-1nj1A:
undetectable		 4cx7A-1nj1A:
22.44
4cx7B-1nj1A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX7_D_H4BD600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.31A 4cx7C-1nj1A:
0.0
4cx7D-1nj1A:
0.0		 4cx7C-1nj1A:
22.44
4cx7D-1nj1A:
22.44
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_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
PRO A 116
GLU A 168
HIS A 170
PHE A 243
 None
 1.23A 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
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSE_A_H4BA804_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 ARG A 155
TRP A  23
PHE A  20
GLU A  22
 None
 1.39A 4jseA-1nj1A:
0.0
4jseB-1nj1A:
0.0		 4jseA-1nj1A:
22.07
4jseB-1nj1A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSE_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 TRP A  23
PHE A  20
GLU A  22
ARG A 155
 None
 1.35A 4jseA-1nj1A:
0.0
4jseB-1nj1A:
0.0		 4jseA-1nj1A:
22.07
4jseB-1nj1A:
22.07
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
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.
4L1A_A_AB1A101_1
(MDR769 HIV-1
PROTEASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 11 GLY A 364
ALA A 365
ASP A 360
ILE A 299
THR A 387
 None
 1.09A 4l1aA-1nj1A:
undetectable		 4l1aA-1nj1A:
12.79
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.
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.
4M2X_G_TMQG202_1
(DIHYDROFOLATE
REDUCTASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 ILE A  34
LEU A 288
PRO A 289
VAL A 292
ILE A  33
 None
 1.06A 4m2xG-1nj1A:
2.1		 4m2xG-1nj1A:
15.34
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.
4NOS_B_H4BB1011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.33A 4nosA-1nj1A:
0.0
4nosB-1nj1A:
0.0		 4nosA-1nj1A:
22.54
4nosB-1nj1A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NOS_B_H4BB1011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 TRP A  23
PHE A  24
GLU A  22
ILE A  27
 None
 1.48A 4nosA-1nj1A:
0.0
4nosB-1nj1A:
0.0		 4nosA-1nj1A:
22.54
4nosB-1nj1A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NOS_C_H4BC2011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 ILE A  27
TRP A  23
PHE A  20
GLU A  22
 None
 1.34A 4nosC-1nj1A:
0.2
4nosD-1nj1A:
0.0		 4nosC-1nj1A:
22.54
4nosD-1nj1A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NOS_D_H4BD3011_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 TRP A  23
PHE A  20
GLU A  22
ILE A  27
 None
 1.34A 4nosC-1nj1A:
0.2
4nosD-1nj1A:
0.0		 4nosC-1nj1A:
22.54
4nosD-1nj1A:
22.54
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_0
(PROLINE--TRNA LIGASE)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 12 VAL A  97
PRO A 116
GLU A 168
HIS A 170
PHE A 243
 None
 1.31A 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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTW_A_DB8A1101_2
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 LEU A 286
LEU A 396
ASN A  56
 None
 0.77A 4otwA-1nj1A:
0.3		 4otwA-1nj1A:
21.88
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
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
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
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 VAL A  97
PRO A 116
GLU A 168
HIS A 170
PHE A 243
 None
 1.26A 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_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
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.16A 5b1aA-1nj1A:
undetectable
5b1aC-1nj1A:
undetectable
5b1aP-1nj1A:
undetectable		 5b1aA-1nj1A:
20.07
5b1aC-1nj1A:
18.34
5b1aP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1A_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.18A 5b1aN-1nj1A:
0.0
5b1aP-1nj1A:
undetectable		 5b1aN-1nj1A:
20.07
5b1aP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.15A 5b1bA-1nj1A:
0.0
5b1bC-1nj1A:
undetectable
5b1bP-1nj1A:
undetectable		 5b1bA-1nj1A:
20.07
5b1bC-1nj1A:
18.34
5b1bP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B1B_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.18A 5b1bN-1nj1A:
undetectable
5b1bP-1nj1A:
undetectable		 5b1bN-1nj1A:
20.07
5b1bP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.20A 5b3sA-1nj1A:
undetectable
5b3sC-1nj1A:
undetectable
5b3sP-1nj1A:
undetectable		 5b3sA-1nj1A:
20.07
5b3sC-1nj1A:
18.34
5b3sP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.21A 5b3sN-1nj1A:
undetectable
5b3sP-1nj1A:
undetectable		 5b3sN-1nj1A:
20.07
5b3sP-1nj1A:
18.34
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
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
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
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.
5IY5_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.21A 5iy5A-1nj1A:
undetectable
5iy5C-1nj1A:
undetectable		 5iy5A-1nj1A:
20.07
5iy5C-1nj1A:
18.29
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.
5KC4_A_RBFA201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 LYS A  55
LEU A 288
ILE A  33
 None
 0.77A 5kc4A-1nj1A:
undetectable		 5kc4A-1nj1A:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5V0V_A_8QSA615_1
(SERUM ALBUMIN)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 LEU A  58
ARG A  62
LEU A 197
ILE A  64
 None
 0.96A 5v0vA-1nj1A:
0.4		 5v0vA-1nj1A:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_C_CHDC302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.22A 5w97C-1nj1A:
undetectable
5w97a-1nj1A:
undetectable
5w97c-1nj1A:
undetectable		 5w97C-1nj1A:
18.34
5w97a-1nj1A:
20.07
5w97c-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 5wauA-1nj1A:
undetectable
5wauC-1nj1A:
undetectable
5wauc-1nj1A:
undetectable		 5wauA-1nj1A:
20.07
5wauC-1nj1A:
18.34
5wauc-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.18A 5wauC-1nj1A:
undetectable
5waua-1nj1A:
undetectable
5wauc-1nj1A:
undetectable		 5wauC-1nj1A:
18.34
5waua-1nj1A:
20.07
5wauc-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.16A 5x19A-1nj1A:
0.0
5x19C-1nj1A:
undetectable
5x19P-1nj1A:
undetectable		 5x19A-1nj1A:
20.07
5x19C-1nj1A:
18.34
5x19P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.21A 5x19N-1nj1A:
0.0
5x19P-1nj1A:
undetectable		 5x19N-1nj1A:
20.07
5x19P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.26A 5x1bN-1nj1A:
0.0
5x1bP-1nj1A:
0.0		 5x1bN-1nj1A:
20.07
5x1bP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.20A 5x1fA-1nj1A:
0.0
5x1fC-1nj1A:
undetectable
5x1fP-1nj1A:
undetectable		 5x1fA-1nj1A:
20.07
5x1fC-1nj1A:
18.34
5x1fP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1F_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.25A 5x1fN-1nj1A:
undetectable
5x1fP-1nj1A:
undetectable		 5x1fN-1nj1A:
20.07
5x1fP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.21A 5xdqA-1nj1A:
0.0
5xdqC-1nj1A:
undetectable
5xdqP-1nj1A:
undetectable		 5xdqA-1nj1A:
20.07
5xdqC-1nj1A:
18.34
5xdqP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 5xdxC-1nj1A:
undetectable
5xdxN-1nj1A:
0.0
5xdxP-1nj1A:
undetectable		 5xdxC-1nj1A:
18.15
5xdxN-1nj1A:
20.07
5xdxP-1nj1A:
18.15
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
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) 		6 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
HIS A 170
THR A 218
 None
 1.28A 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
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
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
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
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
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 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 218
 None
 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 VAL A  97
PRO A 116
GLU A 168
HIS A 170
PHE A 243
 None
 1.25A 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_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) 		5 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 218
 None
 0.82A 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
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 VAL A  97
PRO A 116
GLU A 168
HIS A 170
PHE A 243
 None
 1.27A 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_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
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) 		5 / 12 LEU A  83
GLU A  96
VAL A  97
PRO A 116
THR A 218
 None
 0.87A 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
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 VAL A  97
PRO A 116
GLU A 168
HIS A 170
PHE A 243
 None
 1.27A 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_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.
5Z84_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 5z84A-1nj1A:
0.0
5z84C-1nj1A:
undetectable
5z84P-1nj1A:
undetectable		 5z84A-1nj1A:
20.07
5z84C-1nj1A:
18.34
5z84P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.20A 5z84C-1nj1A:
undetectable
5z84N-1nj1A:
0.0
5z84P-1nj1A:
undetectable		 5z84C-1nj1A:
18.34
5z84N-1nj1A:
20.07
5z84P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 5z85A-1nj1A:
0.0
5z85C-1nj1A:
undetectable
5z85P-1nj1A:
undetectable		 5z85A-1nj1A:
20.07
5z85C-1nj1A:
18.34
5z85P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z85_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.20A 5z85C-1nj1A:
undetectable
5z85N-1nj1A:
0.0
5z85P-1nj1A:
undetectable		 5z85C-1nj1A:
18.34
5z85N-1nj1A:
20.07
5z85P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.20A 5z86A-1nj1A:
0.0
5z86C-1nj1A:
undetectable
5z86P-1nj1A:
undetectable		 5z86A-1nj1A:
20.07
5z86C-1nj1A:
18.34
5z86P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 5z86C-1nj1A:
undetectable
5z86N-1nj1A:
undetectable
5z86P-1nj1A:
undetectable		 5z86C-1nj1A:
18.34
5z86N-1nj1A:
20.07
5z86P-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.18A 5zcoA-1nj1A:
0.0
5zcoC-1nj1A:
undetectable
5zcoP-1nj1A:
undetectable		 5zcoA-1nj1A:
20.07
5zcoC-1nj1A:
18.34
5zcoP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.18A 5zcoC-1nj1A:
undetectable
5zcoN-1nj1A:
undetectable
5zcoP-1nj1A:
undetectable		 5zcoC-1nj1A:
18.34
5zcoN-1nj1A:
20.07
5zcoP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 5zcpA-1nj1A:
0.0
5zcpC-1nj1A:
undetectable
5zcpP-1nj1A:
undetectable		 5zcpA-1nj1A:
20.07
5zcpC-1nj1A:
18.34
5zcpP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCP_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 5zcpC-1nj1A:
undetectable
5zcpN-1nj1A:
undetectable
5zcpP-1nj1A:
undetectable		 5zcpC-1nj1A:
18.34
5zcpN-1nj1A:
20.07
5zcpP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.19A 5zcqA-1nj1A:
undetectable
5zcqC-1nj1A:
undetectable
5zcqP-1nj1A:
undetectable		 5zcqA-1nj1A:
20.07
5zcqC-1nj1A:
18.34
5zcqP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.20A 5zcqN-1nj1A:
undetectable
5zcqP-1nj1A:
undetectable		 5zcqN-1nj1A:
20.07
5zcqP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
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.
6FHW_A_ACRA801_2
(GLUCOAMYLASE P)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 TRP A 435
GLU A 446
GLU A 439
 None
MG  A 514 (-2.9A)
None
 0.95A 6fhwA-1nj1A:
undetectable		 6fhwA-1nj1A:
9.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 ARG A 205
TYR A 473
GLU A 458
GLU A 180
 None
 1.17A 6mn5B-1nj1A:
1.2		 6mn5B-1nj1A:
10.40
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) 		5 / 12 LEU A  83
GLU A  96
VAL A  97
HIS A 170
THR A 218
 None
 1.23A 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
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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NKN_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.17A 6nknA-1nj1A:
undetectable
6nknC-1nj1A:
undetectable		 6nknA-1nj1A:
20.07
6nknC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMF_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.26A 6nmfN-1nj1A:
0.0
6nmfP-1nj1A:
undetectable		 6nmfN-1nj1A:
20.07
6nmfP-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.22A 6nmpA-1nj1A:
0.0
6nmpC-1nj1A:
undetectable		 6nmpA-1nj1A:
20.07
6nmpC-1nj1A:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NMP_P_CHDP302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1nj1 PROLINE-TRNA
SYNTHETASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 7 HIS A 280
ASP A 222
THR A 223
TYR A 201
 None
 1.24A 6nmpN-1nj1A:
undetectable
6nmpP-1nj1A:
undetectable		 6nmpN-1nj1A:
20.07
6nmpP-1nj1A:
18.34