SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2gai'

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.
1JTV_A_TESA500_1
(17
BETA-HYDROXYSTEROID
DEHYDROGENASE TYPE 1)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 8 VAL A 586
LEU A 601
SER A 492
VAL A 493
 None
 0.92A 1jtvA-2gaiA:
3.0		 1jtvA-2gaiA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_B_DIFB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		5 / 9 LEU A 472
VAL A 168
GLY A 166
ALA A 165
SER A 164
 None
 1.18A 1pxxB-2gaiA:
undetectable		 1pxxB-2gaiA:
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.
1QHS_A_CLMA999_0
(PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE))		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		5 / 12 VAL A  11
ILE A 114
ILE A 119
PHE A 111
VAL A  30
 None
 0.95A 1qhsA-2gaiA:
undetectable		 1qhsA-2gaiA:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WRL_D_TFPD207_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 8 LEU A  49
LEU A 498
PHE A 535
SER A 541
 None
 0.81A 1wrlC-2gaiA:
undetectable
1wrlD-2gaiA:
undetectable		 1wrlC-2gaiA:
9.78
1wrlD-2gaiA:
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.
1XDK_B_9CRB600_2
(RETINOIC ACID
RECEPTOR, BETA)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		3 / 3 LEU A 201
PHE A 419
ARG A 386
 None
 0.88A 1xdkB-2gaiA:
undetectable		 1xdkB-2gaiA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O01_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 8 TRP A 365
PHE A 312
ALA A 370
LEU A 369
 None
 1.00A 2o01A-2gaiA:
undetectable		 2o01A-2gaiA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WSC_B_PQNB1773_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		5 / 10 PHE A 260
SER A 261
ALA A 269
LEU A 360
ALA A 254
 None
 1.41A 2wscB-2gaiA:
0.0		 2wscB-2gaiA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WSE_B_PQNB1774_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		5 / 10 PHE A 260
SER A 261
ALA A 269
LEU A 360
ALA A 254
 None
 1.40A 2wseB-2gaiA:
undetectable		 2wseB-2gaiA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WSF_B_PQNB1773_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		5 / 9 PHE A 260
SER A 261
ALA A 269
LEU A 360
ALA A 254
 None
 1.41A 2wsfB-2gaiA:
0.0		 2wsfB-2gaiA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_B_HSMB1160_1
(ALLERGEN ARG R 1)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 7 SER A 150
TYR A 502
VAL A 505
ILE A 146
 None
 1.19A 2x45B-2gaiA:
undetectable		 2x45B-2gaiA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X45_C_HSMC1160_1
(ALLERGEN ARG R 1)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 7 SER A 150
TYR A 502
VAL A 505
ILE A 146
 None
 1.18A 2x45C-2gaiA:
undetectable		 2x45C-2gaiA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		5 / 10 PHE A 260
SER A 261
ALA A 269
LEU A 360
ALA A 254
 None
 1.40A 3lw5B-2gaiA:
undetectable		 3lw5B-2gaiA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		5 / 12 GLU A 274
ILE A 114
ALA A  15
THR A  19
ILE A  23
 None
 1.32A 3ndiA-2gaiA:
undetectable		 3ndiA-2gaiA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_C_ACHC323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 8 GLU A 407
TYR A 378
LEU A 399
PHE A 239
 None
 1.03A 3rqwC-2gaiA:
undetectable
3rqwD-2gaiA:
undetectable		 3rqwC-2gaiA:
19.27
3rqwD-2gaiA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 8 GLU A 407
TYR A 378
LEU A 399
PHE A 239
 None
 1.02A 3rqwI-2gaiA:
undetectable
3rqwJ-2gaiA:
undetectable		 3rqwI-2gaiA:
19.27
3rqwJ-2gaiA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_J_ACHJ323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 8 GLU A 407
TYR A 378
LEU A 399
PHE A 239
 None
 1.04A 3rqwF-2gaiA:
undetectable
3rqwJ-2gaiA:
undetectable		 3rqwF-2gaiA:
19.27
3rqwJ-2gaiA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		3 / 3 PHE A 510
TYR A 502
LEU A 457
 None
 0.76A 3sueB-2gaiA:
undetectable		 3sueB-2gaiA:
14.47
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.
3V4T_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		3 / 3 THR A 381
VAL A 398
GLU A 379
 None
 0.72A 3v4tA-2gaiA:
undetectable
3v4tD-2gaiA:
undetectable		 3v4tA-2gaiA:
22.84
3v4tD-2gaiA:
22.84
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.
4B9Z_A_ACRA1818_1
(ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		5 / 12 LEU A 532
LEU A 518
GLU A 515
ARG A 140
ASP A 144
 None
 1.48A 4b9zA-2gaiA:
undetectable		 4b9zA-2gaiA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F8Y_B_VK3B202_1
(NADPH QUINONE
OXIDOREDUCTASE)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 6 ASN A 158
TYR A 502
TYR A 497
LEU A 151
 None
 1.47A 4f8yA-2gaiA:
undetectable
4f8yB-2gaiA:
undetectable		 4f8yA-2gaiA:
15.56
4f8yB-2gaiA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IB4_A_ERMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		5 / 12 VAL A 168
SER A 170
LEU A 532
VAL A 531
VAL A 147
 None
 1.26A 4ib4A-2gaiA:
2.8		 4ib4A-2gaiA:
21.73
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.
4JX1_E_CAME502_0
(CAMPHOR
5-MONOOXYGENASE)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 5 PHE A 553
THR A 488
PHE A 574
ILE A 594
 None
 1.26A 4jx1E-2gaiA:
undetectable		 4jx1E-2gaiA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		3 / 3 GLY A 396
GLU A 380
THR A 381
 None
 0.59A 4kouA-2gaiA:
undetectable		 4kouA-2gaiA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		5 / 12 LEU A 472
VAL A 168
GLY A 166
ALA A 165
SER A 164
 None
 1.09A 4otyB-2gaiA:
0.7		 4otyB-2gaiA:
20.78
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.
4Y03_A_SALA801_1
(PROTEIN POLYBROMO-1)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 7 ILE A  20
LEU A  80
ALA A 122
ILE A 119
 None
 0.87A 4y03A-2gaiA:
undetectable		 4y03A-2gaiA:
11.79
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.
5BTI_E_LFXE101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 5 SER A 263
GLY A 460
THR A 511
GLU A 515
 None
 1.19A 5btiA-2gaiA:
undetectable
5btiB-2gaiA:
8.1		 5btiA-2gaiA:
21.65
5btiB-2gaiA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTI_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		4 / 5 SER A 263
GLY A 460
THR A 511
GLU A 515
 None
 1.18A 5btiC-2gaiA:
undetectable
5btiD-2gaiA:
8.9		 5btiC-2gaiA:
21.65
5btiD-2gaiA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCG_A_08YA602_2
(CYTOCHROME P450 3A4)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		3 / 3 ARG A  87
ARG A 290
ARG A 141
 None
 0.91A 5vcgA-2gaiA:
undetectable		 5vcgA-2gaiA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNA_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		3 / 3 ARG A 141
LYS A  42
TYR A 149
 None
 1.30A 6gnaA-2gaiA:
undetectable		 6gnaA-2gaiA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNB_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		3 / 3 ARG A 141
LYS A  42
TYR A 149
 None
 1.30A 6gnbA-2gaiA:
undetectable		 6gnbA-2gaiA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		 2gai DNA TOPOISOMERASE I
(Thermotoga
maritima) 		5 / 11 PHE A 421
VAL A 427
PHE A 383
THR A 381
VAL A 398
 None
 1.44A 6hcoA-2gaiA:
undetectable
6hcoB-2gaiA:
1.3		 6hcoA-2gaiA:
22.31
6hcoB-2gaiA:
22.31