SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3cai'

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.
1MRQ_A_STRA501_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 TYR A 200
LEU A 300
GLU A 386
LEU A 274
LEU A 277
 None
 1.34A 1mrqA-3caiA:
undetectable		 1mrqA-3caiA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NP1_A_HSMA303_1
(NITROPHORIN 1)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 5 GLU A  96
LEU A  90
LEU A  93
LEU A  91
 None
 0.95A 1np1A-3caiA:
undetectable		 1np1A-3caiA:
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.
1TZ8_B_DESB128_1
(TRANSTHYRETIN)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 ALA A 162
LEU A 160
LEU A  91
LEU A  94
SER A  98
 None
 1.29A 1tz8A-3caiA:
undetectable
1tz8B-3caiA:
undetectable		 1tz8A-3caiA:
15.82
1tz8B-3caiA:
15.82
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.
2FXD_A_DR7A102_2
(POL PROTEIN)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 7 ARG A 341
ALA A 353
ASP A  23
GLY A 350
 None
 0.93A 2fxdB-3caiA:
undetectable		 2fxdB-3caiA:
12.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 5 ALA A 162
ASN A 118
ILE A 119
ASP A 114
 None
 1.06A 2h4jA-3caiA:
2.2		 2h4jA-3caiA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4N_A_TPVA300_1
(PROTEASE)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 ARG A 341
ALA A 353
ASP A  23
GLY A 350
LEU A 397
 None
 0.98A 2o4nA-3caiA:
undetectable		 2o4nA-3caiA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		3 / 3 SER A 167
GLY A 168
THR A 169
 None
 0.18A 3k9wA-3caiA:
undetectable		 3k9wA-3caiA:
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.
3M6W_A_SAMA465_0
(RRNA METHYLASE)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 372
GLY A 371
VAL A 330
VAL A 391
LEU A 390
 None
 1.03A 3m6wA-3caiA:
undetectable		 3m6wA-3caiA:
24.23
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.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 9 ALA A 353
GLY A 377
LEU A 311
LEU A 390
LEU A 378
 None
 1.19A 3wdmC-3caiA:
2.6		 3wdmC-3caiA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A3U_B_ACTB1358_0
(NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 7 PRO A  31
ILE A  30
GLY A 266
VAL A  38
 None
 0.98A 4a3uB-3caiA:
undetectable		 4a3uB-3caiA:
24.83
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.
4IB4_A_ERMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 160
VAL A 191
PHE A 230
VAL A 242
VAL A 235
 None
 1.24A 4ib4A-3caiA:
undetectable		 4ib4A-3caiA:
22.29
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.
4O2B_B_LOCB503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		3 / 3 SER A 331
ALA A 333
VAL A 334
 None
 0.63A 4o2bA-3caiA:
undetectable		 4o2bA-3caiA:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OQR_A_2UOA502_1
(CYP105AS1)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 9 PRO A 233
ALA A 210
THR A 208
VAL A  74
ALA A  76
 None
 1.27A 4oqrA-3caiA:
undetectable		 4oqrA-3caiA:
24.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_B_RBFB402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 10 THR A 174
ILE A 109
ASN A 118
VAL A 212
MET A 179
 None
 1.32A 4r3aB-3caiA:
undetectable		 4r3aB-3caiA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 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_C_STRC603_2
(CYTOCHROME P450
21-HYDROXYLASE)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 314
VAL A 387
ASP A 388
 None
 0.71A 4y8wC-3caiA:
undetectable		 4y8wC-3caiA:
20.79
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.
4ZF8_A_MYTA502_1
(BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 6 VAL A 215
LEU A 289
ILE A 271
ALA A  76
 None
 0.78A 4zf8A-3caiA:
undetectable		 4zf8A-3caiA:
21.63
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.
5GWK_F_EVPF102_1
(DNA TOPOISOMERASE
2-ALPHA)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 5 GLY A 226
ASP A  86
ARG A  87
MET A 293
 None
 1.44A 5gwkA-3caiA:
undetectable		 5gwkA-3caiA:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A7P_B_9SCB601_0
(SERUM ALBUMIN)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 303
VAL A 391
ALA A 339
PHE A  22
LEU A 378
 None
 1.39A 6a7pB-3caiA:
undetectable		 6a7pB-3caiA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_F_TA1F502_2
(TUBULIN BETA CHAIN)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 394
LEU A 307
THR A 375
PRO A 323
 None
 0.91A 6ew0F-3caiA:
undetectable		 6ew0F-3caiA:
11.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_G_TA1G501_2
(TUBULIN BETA CHAIN)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 394
LEU A 307
THR A 375
PRO A 323
 None
 0.92A 6ew0G-3caiA:
undetectable		 6ew0G-3caiA:
11.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGD_A_ACTA806_0
(GEPHYRIN)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 4 MET A  28
GLY A  27
HIS A 218
GLY A 221
 None
 1.13A 6fgdA-3caiA:
undetectable		 6fgdA-3caiA:
22.32
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.
6H1L_B_FJQB501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		5 / 11 ALA A 131
VAL A 133
ILE A 119
ALA A 120
ALA A  95
 None
 1.05A 6h1lB-3caiA:
undetectable		 6h1lB-3caiA:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD4_B_STIB602_1
(TYROSINE-PROTEIN
KINASE ABL1)		 3cai POSSIBLE
AMINOTRANSFERASE
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 300
TYR A 200
VAL A 267
GLY A 377
 None
 1.01A 6hd4B-3caiA:
undetectable		 6hd4B-3caiA:
11.87