SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2ibp'

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.
1AJ6_A_NOVA1_1
(GYRASE)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		5 / 9 ASN A 259
ILE A 322
PRO A 266
ALA A 325
ILE A 326
 None
 1.46A 1aj6A-2ibpA:
undetectable		 1aj6A-2ibpA:
19.41
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.
1KIA_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		4 / 7 TYR A  67
ARG A  86
TYR A  83
TYR A  71
 None
 1.38A 1kiaD-2ibpA:
undetectable		 1kiaD-2ibpA:
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.
2BM9_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		5 / 12 LEU A 208
GLY A 182
TYR A  62
ASN A 186
ALA A 185
 None
 1.09A 2bm9C-2ibpA:
undetectable		 2bm9C-2ibpA:
20.00
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.
2O4N_A_TPVA300_2
(PROTEASE)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		5 / 8 ARG A 202
LEU A 206
ILE A 366
GLY A 350
ILE A 351
 None
 1.41A 2o4nB-2ibpA:
undetectable		 2o4nB-2ibpA:
14.88
Potential target for repurposing, i.e. matched protein structure has less than 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_A_HSMA1160_1
(ALLERGEN ARG R 1)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		4 / 6 SER A 370
TYR A  62
VAL A  65
TYR A  48
 None
 1.40A 2x45A-2ibpA:
undetectable		 2x45A-2ibpA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		6 / 12 ILE A  45
LEU A 210
ALA A 212
ASP A 213
LEU A  56
LEU A  68
 None
 1.39A 2yqzA-2ibpA:
undetectable		 2yqzA-2ibpA:
22.62
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.
3F33_A_PFLA2001_1
(FERRITIN LIGHT CHAIN)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		4 / 6 SER A  66
TYR A  67
LEU A  70
LEU A  80
 None
 0.84A 3f33A-2ibpA:
2.8		 3f33A-2ibpA:
18.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_B_CELB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		4 / 6 LEU A 208
ILE A 358
ALA A 185
LEU A 181
 None
 0.91A 3kk6B-2ibpA:
0.4		 3kk6B-2ibpA:
21.11
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.
4GBO_B_CUB301_0
(E7)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 108
ALA A 112
HIS A 165
TYR A 362
 None
 1.50A 4gboB-2ibpA:
undetectable		 4gboB-2ibpA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I41_A_MIXA501_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		5 / 12 THR A  34
VAL A 291
ASP A  38
ILE A  39
GLU A  42
 None
 1.41A 4i41A-2ibpA:
1.8		 4i41A-2ibpA:
23.09
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.
4W5O_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		4 / 5 PHE A 221
PRO A 217
VAL A 216
ALA A 222
 None
 1.35A 4w5oA-2ibpA:
undetectable		 4w5oA-2ibpA:
18.82
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.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		5 / 12 GLY A  44
PHE A 353
ILE A 366
PHE A 302
GLY A 203
 None
 1.21A 4zdyA-2ibpA:
undetectable		 4zdyA-2ibpA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ECL_D_ILED602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		5 / 6 ILE A 161
ALA A  96
THR A  97
VAL A 100
HIS A  94
 None
 1.42A 5eclD-2ibpA:
undetectable		 5eclD-2ibpA:
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.
5ECN_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		5 / 8 ILE A 161
ALA A  96
THR A  97
VAL A 100
HIS A  94
 None
 1.13A 5ecnD-2ibpA:
undetectable		 5ecnD-2ibpA:
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.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		5 / 12 GLY A  44
PHE A 353
ILE A 366
PHE A 302
GLY A 203
 None
 1.25A 5eslA-2ibpA:
1.4		 5eslA-2ibpA:
23.56
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.
5NKN_A_LOCA201_2
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		3 / 3 VAL A 117
LYS A 153
MET A  87
 None
 0.84A 5nknA-2ibpA:
undetectable		 5nknA-2ibpA:
11.53
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.
5NKN_A_LOCA201_2
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		3 / 3 VAL A 237
LYS A 153
MET A  87
 None
 0.91A 5nknA-2ibpA:
undetectable		 5nknA-2ibpA:
11.53
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.
5TT3_A_EZLA303_1
(ALPHA-CARBONIC
ANHYDRASE)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		5 / 10 HIS A 333
VAL A 330
THR A 277
ALA A 275
PRO A 282
 None
 1.27A 5tt3A-2ibpA:
undetectable		 5tt3A-2ibpA:
18.25
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.
5TT3_C_EZLC303_1
(ALPHA-CARBONIC
ANHYDRASE)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		5 / 10 HIS A 333
VAL A 330
THR A 277
ALA A 275
PRO A 282
 None
 1.30A 5tt3C-2ibpA:
undetectable		 5tt3C-2ibpA:
18.25
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.
5ZJI_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		5 / 10 TRP A 375
ILE A 241
ILE A  36
ALA A 377
ALA A 151
 None
 1.33A 5zjiB-2ibpA:
undetectable		 5zjiB-2ibpA:
11.41
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.
5ZMQ_K_PACK1_0
(SERINE PROTEASE NS3
PEPTIDE
PAC-DLY-DLY-DAR)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		3 / 3 ALA A 151
VAL A 117
TYR A 234
 None
 0.64A 5zmqH-2ibpA:
undetectable		 5zmqH-2ibpA:
18.37
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.
6HU9_H_PCFH604_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		4 / 8 VAL A 330
GLY A  44
ALA A 299
LYS A 300
 None
 0.61A 6hu9H-2ibpA:
undetectable
6hu9e-2ibpA:
undetectable		 6hu9H-2ibpA:
12.23
6hu9e-2ibpA:
16.57
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.
6HXI_B_ACTB706_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 214
ARG A 298
PHE A 367
ARG A 371
 None
 0.46A 6hxiB-2ibpA:
14.2		 6hxiB-2ibpA:
22.27
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.
6HXI_D_ACTD703_0
(SUCCINYL-COA LIGASE
(ADP-FORMING)
SUBUNIT ALPHA)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		4 / 5 HIS A 214
ARG A 298
PHE A 367
ARG A 371
 None
 0.44A 6hxiD-2ibpA:
15.9		 6hxiD-2ibpA:
22.27
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.
6I0Y_A_TRPA3001_0
(23S RIBOSOMAL RNA
TRYPTOPHANASE OPERON
LEADER PEPTIDE)		 2ibp CITRATE SYNTHASE
(Pyrobaculum
aerophilum) 		3 / 3 TRP A  47
ILE A  39
ASP A  40
 None
 0.91A 6i0y7-2ibpA:
undetectable		 6i0y7-2ibpA:
5.37