SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4zxi'

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.
1DVX_B_DIFB125_1
(TRANSTHYRETIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 7 LEU A 380
ALA A 378
SER A 389
THR A 376
 None
 0.95A 1dvxA-4zxiA:
undetectable		 1dvxA-4zxiA:
6.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DVX_B_DIFB125_2
(TRANSTHYRETIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 7 LEU A 380
ALA A 378
SER A 389
THR A 376
 None
 0.95A 1dvxB-4zxiA:
undetectable		 1dvxB-4zxiA:
6.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FAP_A_RAPA108_2
(FK506-BINDING
PROTEIN
FRAP)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 8 LEU A1029
SER A1025
ARG A  29
TYR A1032
 None
 1.04A 1fapB-4zxiA:
undetectable		 1fapB-4zxiA:
5.52
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.
1G5Y_C_9CRC502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 10 LEU A1180
ARG A1204
LEU A1203
ALA A1200
PHE A1238
 None
 1.27A 1g5yC-4zxiA:
undetectable		 1g5yC-4zxiA:
11.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICT_C_T44C128_1
(TRANSTHYRETIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 11 LEU A 521
ALA A 602
LEU A 541
ALA A 545
VAL A 532
 None
 1.18A 1ictA-4zxiA:
undetectable
1ictC-4zxiA:
undetectable		 1ictA-4zxiA:
7.62
1ictC-4zxiA:
7.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_A_RBFA501_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 GLY A1132
LEU A1081
ILE A1311
ILE A1260
LEU A1261
 None
 1.27A 1kyvA-4zxiA:
2.2
1kyvE-4zxiA:
undetectable		 1kyvA-4zxiA:
8.33
1kyvE-4zxiA:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_A_RBFA501_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 GLY A1133
LEU A1081
ILE A1311
ILE A1260
LEU A1261
 None
 0.97A 1kyvA-4zxiA:
2.2
1kyvE-4zxiA:
undetectable		 1kyvA-4zxiA:
8.33
1kyvE-4zxiA:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_C_RBFC503_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 ILE A1260
LEU A1261
GLY A1132
LEU A1081
ILE A1311
 None
 1.27A 1kyvB-4zxiA:
2.3
1kyvC-4zxiA:
2.2		 1kyvB-4zxiA:
8.33
1kyvC-4zxiA:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_C_RBFC503_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 ILE A1260
LEU A1261
GLY A1133
LEU A1081
ILE A1311
 None
 0.99A 1kyvB-4zxiA:
2.3
1kyvC-4zxiA:
2.2		 1kyvB-4zxiA:
8.33
1kyvC-4zxiA:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_D_RBFD504_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 ILE A1260
LEU A1261
GLY A1133
LEU A1081
ILE A1311
 None
 1.01A 1kyvC-4zxiA:
2.2
1kyvD-4zxiA:
2.6		 1kyvC-4zxiA:
8.33
1kyvD-4zxiA:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_E_RBFE505_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 ILE A1260
LEU A1261
GLY A1133
LEU A1081
ILE A1311
 None
 1.00A 1kyvD-4zxiA:
2.6
1kyvE-4zxiA:
undetectable		 1kyvD-4zxiA:
8.33
1kyvE-4zxiA:
8.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M8E_B_H4BB903_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1161
TRP A1134
 None
 0.77A 1m8eB-4zxiA:
undetectable		 1m8eB-4zxiA:
15.78
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.
1M8E_B_H4BB903_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1298
TRP A1134
 None
 0.98A 1m8eB-4zxiA:
undetectable		 1m8eB-4zxiA:
15.78
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.
1M8H_A_H4BA902_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 1.05A 1m8hA-4zxiA:
0.4		 1m8hA-4zxiA:
15.78
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.
1M8H_B_H4BB903_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 0.98A 1m8hB-4zxiA:
0.4		 1m8hB-4zxiA:
15.78
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.
1M8I_A_H4BA902_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 1.03A 1m8iA-4zxiA:
0.3		 1m8iA-4zxiA:
15.78
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.
1M9T_A_H4BA902_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 0.98A 1m9tA-4zxiA:
0.0		 1m9tA-4zxiA:
15.78
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.
1M9T_B_H4BB903_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 0.97A 1m9tB-4zxiA:
0.0		 1m9tB-4zxiA:
15.78
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.
1NOD_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1161
TRP A1134
 None
 0.75A 1nodB-4zxiA:
undetectable		 1nodB-4zxiA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NOD_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1298
TRP A1134
 None
 1.02A 1nodB-4zxiA:
undetectable		 1nodB-4zxiA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QOM_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1161
TRP A1134
 None
 0.88A 1qomA-4zxiA:
undetectable		 1qomA-4zxiA:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QOM_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1298
TRP A1134
 None
 0.99A 1qomA-4zxiA:
undetectable		 1qomA-4zxiA:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QOM_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 1.01A 1qomB-4zxiA:
0.0		 1qomB-4zxiA:
15.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QW6_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A  14
VAL A  71
TRP A  85
 None
 1.06A 1qw6A-4zxiA:
undetectable		 1qw6A-4zxiA:
15.78
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.
1QWC_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A  14
VAL A  71
TRP A  85
 None
 1.02A 1qwcA-4zxiA:
undetectable		 1qwcA-4zxiA:
15.78
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.
1S9Q_B_CHDB500_0
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 4 LEU A 733
VAL A 711
ILE A 709
TRP A 727
 None
 1.29A 1s9qB-4zxiA:
undetectable		 1s9qB-4zxiA:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TYR_A_9CRA131_1
(TRANSTHYRETIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 6 LEU A 380
ALA A 378
SER A 389
THR A 376
 None
 1.08A 1tyrA-4zxiA:
undetectable		 1tyrA-4zxiA:
7.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VAG_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A  14
VAL A  71
TRP A  85
 None
 1.03A 1vagA-4zxiA:
undetectable		 1vagA-4zxiA:
15.78
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A 973
SER A1082
TYR A1078
 None
 0.70A 1x70A-4zxiA:
2.6		 1x70A-4zxiA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZEA_A_DHIA6_0
(MONOCLONAL
ANTI-CHOLERA TOXIN
IGG1 KAPPA ANTIBODY,
H CHAIN
MONOCLONAL
ANTI-CHOLERA TOXIN
IGG1 KAPPA ANTIBODY,
L CHAIN
SHORT SYNTHETIC
D-AMINO ACID PEPTIDE
D2)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 TRP A 125
ARG A 126
PHE A 117
 XP4  A1404 ( 4.4A)
None
None
 1.06A 1zeaH-4zxiA:
undetectable
1zeaL-4zxiA:
undetectable		 1zeaH-4zxiA:
10.25
1zeaL-4zxiA:
10.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZVI_A_H4BA901_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A  14
VAL A  71
TRP A  85
 None
 1.02A 1zviA-4zxiA:
undetectable		 1zviA-4zxiA:
15.78
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.
2AOU_A_CQAA403_0
(HISTAMINE
N-METHYLTRANSFERASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 8 ASP A 954
PHE A 669
ASP A 560
THR A 665
 None
GLY  A1402 (-4.8A)
None
None
 1.05A 2aouA-4zxiA:
undetectable		 2aouA-4zxiA:
12.46
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 PHE A 424
ILE A 401
LEU A 265
LEU A 268
SER A 269
 None
 0.90A 2bdmA-4zxiA:
undetectable		 2bdmA-4zxiA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DCF_A_ACAA502_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 MET A 356
TYR A 262
VAL A 318
GLY A 355
ILE A 276
 None
 1.23A 2dcfA-4zxiA:
undetectable		 2dcfA-4zxiA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DQY_C_CHDC3_0
(LIVER
CARBOXYLESTERASE 1)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 6 LEU A 568
LEU A 590
PRO A 577
VAL A 594
 None
 1.15A 2dqyC-4zxiA:
8.7		 2dqyC-4zxiA:
18.42
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.
2DR2_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 11 GLY A 397
THR A 402
GLU A 404
GLN A 398
GLN A 395
 None
None
None
PNS  A1401 ( 4.3A)
None
 1.49A 2dr2A-4zxiA:
undetectable		 2dr2A-4zxiA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HKK_A_ALEA300_1
(CARBONIC ANHYDRASE 2)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 6 HIS A 996
ILE A 928
GLN A 927
THR A1034
 None
 1.16A 2hkkA-4zxiA:
undetectable		 2hkkA-4zxiA:
12.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NOD_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1161
TRP A1134
 None
 0.77A 2nodB-4zxiA:
undetectable		 2nodB-4zxiA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NOD_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1298
TRP A1134
 None
 1.05A 2nodB-4zxiA:
undetectable		 2nodB-4zxiA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VL2_B_BEZB1162_0
(PEROXIREDOXIN-5)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 7 THR A 715
PRO A 716
PHE A 669
THR A 948
 None
None
GLY  A1402 (-4.8A)
None
 0.99A 2vl2B-4zxiA:
undetectable		 2vl2B-4zxiA:
10.21
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.
2ZBZ_A_VDXA501_1
(CYTOCHROME P450-SU1)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 11 THR A 790
LEU A 646
SER A 672
ILE A 678
ALA A 772
 None
 1.19A 2zbzA-4zxiA:
undetectable		 2zbzA-4zxiA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A65_A_ACAA601_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 MET A 356
TYR A 262
VAL A 318
GLY A 355
ILE A 276
 None
 1.16A 3a65A-4zxiA:
undetectable		 3a65A-4zxiA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ADS_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 6 ILE A 401
ILE A  27
TYR A  37
LEU A 417
 None
None
PNS  A1401 (-4.7A)
None
 1.14A 3adsA-4zxiA:
undetectable		 3adsA-4zxiA:
12.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D91_A_REMA350_2
(RENIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 TYR A1116
ALA A1247
ALA A1141
TYR A1142
 None
 1.10A 3d91A-4zxiA:
undetectable		 3d91A-4zxiA:
13.46
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.
3DWJ_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 1.05A 3dwjB-4zxiA:
0.0		 3dwjB-4zxiA:
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.
3E68_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1161
TRP A1134
 None
 0.83A 3e68A-4zxiA:
undetectable		 3e68A-4zxiA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E68_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1298
TRP A1134
 None
 1.01A 3e68A-4zxiA:
undetectable		 3e68A-4zxiA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E6L_B_H4BB1902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 0.98A 3e6lB-4zxiA:
0.0		 3e6lB-4zxiA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E6T_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1161
TRP A1134
 None
 0.79A 3e6tB-4zxiA:
undetectable		 3e6tB-4zxiA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E6T_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1298
TRP A1134
 None
 0.96A 3e6tB-4zxiA:
undetectable		 3e6tB-4zxiA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E7I_B_H4BB2902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1161
TRP A1134
 None
 0.84A 3e7iB-4zxiA:
undetectable		 3e7iB-4zxiA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E7I_B_H4BB2902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1298
TRP A1134
 None
 0.97A 3e7iB-4zxiA:
undetectable		 3e7iB-4zxiA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM4_V_DR7V100_2
(PROTEASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 10 ILE A1161
GLY A1133
GLY A1132
LEU A1131
ILE A1311
 None
 0.88A 3em4V-4zxiA:
undetectable		 3em4V-4zxiA:
5.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWX_B_EPAB3_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 CYH A 981
THR A 982
THR A 983
GLU A1055
LEU A1012
 None
 1.44A 3gwxB-4zxiA:
undetectable		 3gwxB-4zxiA:
11.46
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.
3NW2_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1161
TRP A1134
 None
 0.87A 3nw2A-4zxiA:
undetectable		 3nw2A-4zxiA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NW2_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1298
TRP A1134
 None
 1.14A 3nw2A-4zxiA:
undetectable		 3nw2A-4zxiA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NW2_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1161
TRP A1134
 None
 0.83A 3nw2B-4zxiA:
undetectable		 3nw2B-4zxiA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NW2_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A1164
ILE A1298
TRP A1134
 None
 1.08A 3nw2B-4zxiA:
undetectable		 3nw2B-4zxiA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 11 PHE A 616
HIS A 639
TYR A 556
LEU A 547
ILE A 546
 None
 1.38A 3o94A-4zxiA:
2.6		 3o94A-4zxiA:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 11 PHE A 616
LEU A 481
HIS A 639
LEU A 547
ILE A 546
 None
 1.49A 3o94A-4zxiA:
2.6		 3o94A-4zxiA:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 11 PHE A 616
HIS A 639
TYR A 556
LEU A 547
ILE A 546
 None
 1.42A 3o94B-4zxiA:
2.6		 3o94B-4zxiA:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		6 / 11 PHE A 616
LEU A 481
HIS A 639
TYR A 556
LEU A 547
ILE A 546
 None
 1.45A 3o94C-4zxiA:
3.0		 3o94C-4zxiA:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		6 / 11 PHE A 616
LEU A 481
HIS A 639
TYR A 556
LEU A 547
ILE A 546
 None
 1.44A 3o94D-4zxiA:
2.7		 3o94D-4zxiA:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OF4_B_ACTB313_0
(NITROREDUCTASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ALA A 281
VAL A 280
GLN A 329
 None
 0.70A 3of4B-4zxiA:
undetectable		 3of4B-4zxiA:
10.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QG2_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 11 ILE A1071
ALA A1243
PHE A1136
LEU A1248
THR A1240
 None
 1.28A 3qg2B-4zxiA:
undetectable		 3qg2B-4zxiA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 10 ALA A 277
PHE A 261
ILE A 213
ILE A 401
THR A 278
 None
 1.22A 3qgtB-4zxiA:
2.2		 3qgtB-4zxiA:
17.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGZ_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 10 ILE A1094
PHE A1068
ILE A1140
ILE A1117
LEU A1131
 None
 1.27A 3qgzA-4zxiA:
undetectable		 3qgzA-4zxiA:
7.55
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.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 TYR A1251
GLU A1143
GLY A1138
ALA A1165
ASP A1162
 None
 1.17A 3qowA-4zxiA:
undetectable		 3qowA-4zxiA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QX3_A_EVPA1_1
(DNA TOPOISOMERASE
2-BETA)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 GLY A 994
ASP A 997
ARG A 992
GLN A 986
 None
 1.39A 3qx3A-4zxiA:
undetectable		 3qx3A-4zxiA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QX3_D_EVPD1_1
(DNA TOPOISOMERASE
2-BETA)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 GLY A 994
ASP A 997
ARG A 992
GLN A 986
 None
 1.39A 3qx3B-4zxiA:
undetectable		 3qx3B-4zxiA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VNS_A_DVAA602_0
(NRPS ADENYLATION
PROTEIN CYTC1)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 7 PHE A 669
ASP A 670
GLY A 738
THR A 764
 GLY  A1402 (-4.8A)
GLY  A1402 (-2.6A)
AMP  A1403 ( 4.1A)
MG  A1406 ( 3.9A)
 1.02A 3vnsA-4zxiA:
46.1		 3vnsA-4zxiA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VNS_A_DVAA602_0
(NRPS ADENYLATION
PROTEIN CYTC1)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 7 PHE A 669
ASP A 670
GLY A 739
THR A 764
LYS A 952
 GLY  A1402 (-4.8A)
GLY  A1402 (-2.6A)
AMP  A1403 ( 3.3A)
MG  A1406 ( 3.9A)
GLY  A1402 ( 3.1A)
 0.56A 3vnsA-4zxiA:
46.1		 3vnsA-4zxiA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_B_0LIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 9 LEU A 736
ILE A 485
MET A 681
ILE A 643
ILE A 642
 None
 1.26A 3zosB-4zxiA:
undetectable		 3zosB-4zxiA:
14.94
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 HIS A  15
LEU A  69
LEU A 292
ASP A  65
 None
 1.30A 4aqlA-4zxiA:
undetectable		 4aqlA-4zxiA:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX7_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 8 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 1.00A 4cx7A-4zxiA:
undetectable
4cx7B-4zxiA:
undetectable		 4cx7A-4zxiA:
16.19
4cx7B-4zxiA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX7_C_H4BC600_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 8 SER A1297
ARG A1164
ILE A1298
TRP A1134
 None
 1.02A 4cx7C-4zxiA:
undetectable
4cx7D-4zxiA:
undetectable		 4cx7C-4zxiA:
16.19
4cx7D-4zxiA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DR2_A_PARA1609_1
(16S RRNA
30S RIBOSOMAL
PROTEIN S9
30S RIBOSOMAL
PROTEIN S10)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 TYR A 419
ARG A 393
SER A 229
 None
 1.04A 4dr2I-4zxiA:
undetectable
4dr2J-4zxiA:
undetectable		 4dr2I-4zxiA:
6.68
4dr2J-4zxiA:
6.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 6 GLY A 739
GLY A 738
ASN A 759
ILE A 671
 AMP  A1403 ( 3.3A)
AMP  A1403 ( 4.1A)
AMP  A1403 (-3.4A)
None
 0.88A 4fglD-4zxiA:
undetectable		 4fglD-4zxiA:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FUB_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 TYR A  66
ARG A  70
HIS A  64
 None
 0.85A 4fubA-4zxiA:
undetectable		 4fubA-4zxiA:
10.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J24_C_ESTC600_1
(ESTROGEN RECEPTOR
BETA)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 LEU A 435
LEU A 436
ILE A 354
ILE A 401
HIS A 211
 None
 1.31A 4j24C-4zxiA:
undetectable		 4j24C-4zxiA:
11.05
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.
4J24_C_ESTC600_1
(ESTROGEN RECEPTOR
BETA)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 LEU A 435
MET A 432
LEU A 436
ILE A 276
ILE A 354
 None
 1.22A 4j24C-4zxiA:
undetectable		 4j24C-4zxiA:
11.05
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.
4J24_D_ESTD600_1
(ESTROGEN RECEPTOR
BETA)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 LEU A 256
LEU A 311
ILE A 456
LEU A 454
LEU A 436
 None
 1.23A 4j24D-4zxiA:
undetectable		 4j24D-4zxiA:
11.05
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.
4LF7_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 TYR A 419
ARG A 393
SER A 229
 None
 0.85A 4lf7I-4zxiA:
undetectable
4lf7J-4zxiA:
undetectable		 4lf7I-4zxiA:
6.68
4lf7J-4zxiA:
6.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LF8_A_PARA1817_1
(16S RRNA
RIBOSOMAL PROTEIN S9
RIBOSOMAL PROTEIN
S10)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 TYR A 419
ARG A 393
SER A 229
 None
 0.85A 4lf8I-4zxiA:
undetectable
4lf8J-4zxiA:
undetectable		 4lf8I-4zxiA:
6.68
4lf8J-4zxiA:
6.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_A_AERA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 TYR A1202
LEU A1181
ASP A1213
GLU A1218
 None
 1.32A 4nkvA-4zxiA:
undetectable		 4nkvA-4zxiA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 LEU A 607
ALA A 518
ILE A 489
ILE A 485
LEU A 486
 None
 1.00A 4nkvB-4zxiA:
undetectable		 4nkvB-4zxiA:
17.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P65_E_IPHE101_0
(INSULIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 11 LEU A1225
LEU A1216
ALA A1219
LEU A1181
LEU A1188
 None
 1.06A 4p65E-4zxiA:
undetectable
4p65F-4zxiA:
undetectable
4p65J-4zxiA:
undetectable
4p65L-4zxiA:
undetectable		 4p65E-4zxiA:
1.98
4p65F-4zxiA:
2.52
4p65J-4zxiA:
2.52
4p65L-4zxiA:
2.52
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.
4PO0_A_NPSA603_1
(SERUM ALBUMIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 10 LEU A 534
LEU A 536
LEU A 498
LEU A 510
VAL A 505
 None
 1.15A 4po0A-4zxiA:
undetectable		 4po0A-4zxiA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QOG_B_ML1B302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 6 GLY A 511
PHE A 482
ILE A 485
PHE A 616
 None
 0.76A 4qogA-4zxiA:
3.1
4qogB-4zxiA:
undetectable		 4qogA-4zxiA:
10.62
4qogB-4zxiA:
10.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R82_A_ACTA205_0
(OXIDOREDUCTASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 SER A 161
ARG A 158
GLU A 366
PHE A 367
 XP4  A1404 ( 4.7A)
None
None
None
 1.28A 4r82A-4zxiA:
undetectable
4r82B-4zxiA:
undetectable		 4r82A-4zxiA:
10.26
4r82B-4zxiA:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 LEU A1002
PHE A 999
LEU A1024
LYS A1017
ALA A1019
 None
 1.17A 4rtbA-4zxiA:
undetectable		 4rtbA-4zxiA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 12 VAL A 655
LEU A 653
ILE A 678
VAL A 760
LEU A 787
 None
 1.12A 4y8wB-4zxiA:
undetectable		 4y8wB-4zxiA:
17.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 7 ASP A 670
ILE A 671
GLY A 738
TRP A 769
 GLY  A1402 (-2.6A)
None
AMP  A1403 ( 4.1A)
None
 1.09A 4zxiA-4zxiA:
73.5		 4zxiA-4zxiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		7 / 7 PHE A 669
ASP A 670
ILE A 671
GLY A 739
THR A 764
TRP A 769
LYS A 952
 GLY  A1402 (-4.8A)
GLY  A1402 (-2.6A)
None
AMP  A1403 ( 3.3A)
MG  A1406 ( 3.9A)
None
GLY  A1402 ( 3.1A)
 0.03A 4zxiA-4zxiA:
73.5		 4zxiA-4zxiA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_A_SORA1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 6 ASP A 112
HIS A 128
ARG A 126
ILE A  93
 None
 1.46A 5a06A-4zxiA:
2.3		 5a06A-4zxiA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_B_SORB1343_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 ASP A 112
HIS A 128
ARG A 126
ILE A  93
 None
 1.47A 5a06B-4zxiA:
2.3		 5a06B-4zxiA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_D_SORD1344_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 ASP A 112
HIS A 128
ARG A 126
ILE A  93
 None
 1.45A 5a06D-4zxiA:
2.3		 5a06D-4zxiA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A06_F_SORF1344_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 ASP A 112
HIS A 128
ARG A 126
ILE A  93
 None
 1.40A 5a06F-4zxiA:
2.3		 5a06F-4zxiA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AYF_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 11 ALA A1190
GLY A1193
GLY A1293
ASN A1303
HIS A1295
 None
 1.27A 5ayfA-4zxiA:
undetectable		 5ayfA-4zxiA:
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 7 ASP A 171
ARG A 158
GLY A 154
ARG A 289
 None
 0.98A 5btfA-4zxiA:
undetectable
5btfB-4zxiA:
undetectable
5btfC-4zxiA:
undetectable		 5btfA-4zxiA:
18.14
5btfB-4zxiA:
11.37
5btfC-4zxiA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		3 / 3 ARG A  14
VAL A  71
TRP A  85
 None
 1.02A 5fvoA-4zxiA:
undetectable		 5fvoA-4zxiA:
16.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 7 PHE A 669
ASP A 670
GLY A 739
GLY A 762
LYS A 952
 GLY  A1402 (-4.8A)
GLY  A1402 (-2.6A)
AMP  A1403 ( 3.3A)
AMP  A1403 (-4.9A)
GLY  A1402 ( 3.1A)
 0.52A 5n9xA-4zxiA:
46.2		 5n9xA-4zxiA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM3_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 6 LEU A1029
SER A1033
PHE A 999
ASP A 998
 None
 1.08A 5om3A-4zxiA:
undetectable
5om3B-4zxiA:
undetectable		 5om3A-4zxiA:
5.11
5om3B-4zxiA:
2.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 ARG A 289
ASP A 149
MET A 148
GLN A 394
 None
 0.84A 5ubbA-4zxiA:
2.6		 5ubbA-4zxiA:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WM2_A_SALA601_1
(SALICYLATE-AMP
LIGASE)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		5 / 9 PHE A1130
GLY A1157
VAL A1159
GLY A1132
LEU A1067
 None
 1.44A 5wm2A-4zxiA:
38.1		 5wm2A-4zxiA:
5.54
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.
6B5V_A_ECLA1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 7 ILE A 451
LEU A 454
ILE A 251
ALA A 445
 None
 0.88A 6b5vA-4zxiA:
undetectable
6b5vC-4zxiA:
undetectable		 6b5vA-4zxiA:
6.92
6b5vC-4zxiA:
6.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5V_C_ECLC1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 7 ILE A 451
LEU A 454
ILE A 251
ALA A 445
 None
 0.88A 6b5vC-4zxiA:
undetectable
6b5vD-4zxiA:
undetectable		 6b5vC-4zxiA:
6.92
6b5vD-4zxiA:
6.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5V_D_ECLD1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 7 ALA A 445
ILE A 451
LEU A 454
ILE A 251
 None
 0.88A 6b5vB-4zxiA:
undetectable
6b5vD-4zxiA:
undetectable		 6b5vB-4zxiA:
6.92
6b5vD-4zxiA:
6.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6JI6_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 5 GLY A 814
LEU A 817
TYR A 793
GLN A 791
 None
 1.35A 6ji6A-4zxiA:
undetectable		 6ji6A-4zxiA:
10.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_E_AM2E301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4zxi TYROCIDINE
SYNTHETASE 3
(Acinetobacter
baumannii) 		4 / 7 HIS A 862
THR A 860
ARG A 864
ASP A 849
 None
None
AMP  A1403 (-3.4A)
AMP  A1403 (-2.4A)
 1.32A 6mn4E-4zxiA:
undetectable		 6mn4E-4zxiA:
12.09