SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4gi2'

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.
1BDW_B_DVAB8_0
(GRAMICIDIN A)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		3 / 3 VAL A  81
VAL A  76
TRP A  82
 None
 0.82A 1bdwA-4gi2A:
undetectable
1bdwB-4gi2A:
undetectable		 1bdwA-4gi2A:
5.09
1bdwB-4gi2A:
5.09
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.
1C4D_A_DVAA6_0
(GRAMICIDIN A)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		3 / 3 ALA A  16
VAL A  31
TRP A 111
 None
 0.87A 1c4dA-4gi2A:
undetectable
1c4dB-4gi2A:
undetectable		 1c4dA-4gi2A:
5.09
1c4dB-4gi2A:
5.09
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.
1C4D_A_DVAA8_0
(GRAMICIDIN A)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		3 / 3 VAL A  56
TRP A  38
TRP A 386
 None
 1.48A 1c4dA-4gi2A:
undetectable
1c4dB-4gi2A:
undetectable		 1c4dA-4gi2A:
5.09
1c4dB-4gi2A:
5.09
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 7 SER A 104
SER A  90
PHE A  92
ALA A  83
 None
 1.07A 1fxvA-4gi2A:
undetectable
1fxvB-4gi2A:
undetectable		 1fxvA-4gi2A:
19.19
1fxvB-4gi2A:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GMK_C_DVAC6_0
(GRAMICIDIN A)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		3 / 3 ALA A 313
VAL A 317
TRP A 282
 None
 1.02A 1gmkC-4gi2A:
undetectable
1gmkD-4gi2A:
undetectable		 1gmkC-4gi2A:
5.09
1gmkD-4gi2A:
5.09
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.
1JHA_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 8 GLY A  80
GLY A  46
SER A  51
GLY A  86
 None
 0.77A 1jhaA-4gi2A:
3.2		 1jhaA-4gi2A:
25.27
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.
1N4F_A_ASRA141_0
(LYSOZYME C)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 6 GLY A 311
THR A 314
PRO A 316
SER A 318
 None
 0.90A 1n4fA-4gi2A:
undetectable		 1n4fA-4gi2A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QHY_A_CLMA888_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 6 PRO A 385
LYS A 388
ALA A 392
GLU A 382
 None
 1.18A 1qhyA-4gi2A:
undetectable		 1qhyA-4gi2A:
18.69
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.
2NNK_A_ROCA401_1
(PROTEASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 12 GLY A  75
ILE A 101
GLY A 155
VAL A  69
VAL A  71
 None
 0.73A 2nnkA-4gi2A:
undetectable		 2nnkA-4gi2A:
12.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QX6_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 6 TRP A 268
GLY A 218
GLY A 311
PHE A 289
 None
NAP  A 502 (-3.4A)
None
None
 0.96A 2qx6A-4gi2A:
3.7
2qx6B-4gi2A:
3.7		 2qx6A-4gi2A:
21.95
2qx6B-4gi2A:
21.95
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.
2W98_B_P1ZB1359_1
(PROSTAGLANDIN
REDUCTASE 2)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 6 GLU A 308
MET A 199
PHE A 307
ILE A 305
 None
 0.93A 2w98B-4gi2A:
26.4		 2w98B-4gi2A:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XDC_C_DVAC6_0
(GRAMICIDIN A)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 4 ALA A 313
VAL A 317
TRP A 217
TRP A 282
 None
 1.01A 2xdcC-4gi2A:
undetectable
2xdcD-4gi2A:
undetectable		 2xdcC-4gi2A:
5.09
2xdcD-4gi2A:
5.09
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.
2Y5M_C_DVAC6_0
(VAL-GRAMICIDIN A)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 4 ALA A 313
VAL A 317
TRP A 217
TRP A 282
 None
 0.99A 2y5mC-4gi2A:
undetectable
2y5mD-4gi2A:
undetectable		 2y5mC-4gi2A:
5.09
2y5mD-4gi2A:
5.09
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.
2Y6N_E_DVAE6_0
(VAL-GRAMICIDIN A)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 4 ALA A 313
VAL A 317
TRP A 217
TRP A 282
 None
 1.01A 2y6nE-4gi2A:
undetectable
2y6nF-4gi2A:
undetectable		 2y6nE-4gi2A:
5.09
2y6nF-4gi2A:
5.09
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.
3BJW_A_SVRA508_1
(PHOSPHOLIPASE A2)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 5 VAL A 128
GLN A 170
PHE A 166
ARG A 172
 None
 1.46A 3bjwE-4gi2A:
undetectable		 3bjwE-4gi2A:
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.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 12 SER A 107
ALA A 106
GLY A 103
GLY A  75
VAL A  71
 None
 1.11A 3f8wA-4gi2A:
undetectable		 3f8wA-4gi2A:
21.23
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.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 12 SER A 107
ALA A 106
GLY A 103
GLY A  75
VAL A  71
 None
 1.12A 3f8wC-4gi2A:
undetectable		 3f8wC-4gi2A:
21.23
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.
3FHJ_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 10 GLY A 221
HIS A 309
ILE A 242
VAL A 251
VAL A 228
 NAP  A 502 (-3.3A)
None
NAP  A 502 (-4.3A)
None
None
 1.39A 3fhjB-4gi2A:
undetectable		 3fhjB-4gi2A:
20.94
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.
3FHJ_C_TRPC1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 10 GLY A 221
HIS A 309
ILE A 242
VAL A 251
VAL A 228
 NAP  A 502 (-3.3A)
None
NAP  A 502 (-4.3A)
None
None
 1.39A 3fhjC-4gi2A:
undetectable		 3fhjC-4gi2A:
20.94
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.
3FHJ_D_TRPD1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 9 GLY A 221
HIS A 309
ILE A 242
VAL A 251
VAL A 228
 NAP  A 502 (-3.3A)
None
NAP  A 502 (-4.3A)
None
None
 1.39A 3fhjD-4gi2A:
undetectable		 3fhjD-4gi2A:
20.94
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.
3FHJ_F_TRPF1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 9 GLY A 221
HIS A 309
ILE A 242
VAL A 251
VAL A 228
 NAP  A 502 (-3.3A)
None
NAP  A 502 (-4.3A)
None
None
 1.39A 3fhjF-4gi2A:
undetectable		 3fhjF-4gi2A:
20.94
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.
3FI0_L_TRPL1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 9 GLY A 221
HIS A 309
ILE A 242
VAL A 251
VAL A 228
 NAP  A 502 (-3.3A)
None
NAP  A 502 (-4.3A)
None
None
 1.43A 3fi0L-4gi2A:
3.2		 3fi0L-4gi2A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_R_TRPR1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 9 GLY A 221
HIS A 309
ILE A 242
VAL A 251
VAL A 228
 NAP  A 502 (-3.3A)
None
NAP  A 502 (-4.3A)
None
None
 1.43A 3fi0R-4gi2A:
3.4		 3fi0R-4gi2A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3J6P_B_TA1B502_1
(TUBULIN BETA CHAIN)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 12 VAL A 306
GLU A 308
SER A 318
PHE A 289
GLY A 218
 None
None
None
None
NAP  A 502 (-3.4A)
 1.27A 3j6pB-4gi2A:
undetectable		 3j6pB-4gi2A:
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.
3MS9_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 6 VAL A 317
VAL A 303
ILE A 328
ARG A 262
 None
None
None
NAP  A 502 (-3.3A)
 0.94A 3ms9A-4gi2A:
undetectable		 3ms9A-4gi2A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_B_STIB1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 7 VAL A 317
VAL A 303
ILE A 328
ARG A 262
 None
None
None
NAP  A 502 (-3.3A)
 0.87A 3ms9B-4gi2A:
undetectable		 3ms9B-4gi2A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 6 VAL A 317
VAL A 303
ILE A 328
ARG A 262
 None
None
None
NAP  A 502 (-3.3A)
 1.00A 3mssA-4gi2A:
undetectable		 3mssA-4gi2A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_C_STIC1_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 6 VAL A 317
VAL A 303
ILE A 328
ARG A 262
 None
None
None
NAP  A 502 (-3.3A)
 0.99A 3mssC-4gi2A:
undetectable		 3mssC-4gi2A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PYY_A_STIA3_2
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 6 VAL A 317
VAL A 303
ILE A 328
ARG A 262
 None
None
None
NAP  A 502 (-3.3A)
 0.95A 3pyyA-4gi2A:
undetectable		 3pyyA-4gi2A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZQ8_D_DVAD6_0
(VAL-GRAMICIDIN A)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 4 TRP A 217
TRP A 282
ALA A 313
VAL A 317
 None
 0.96A 3zq8C-4gi2A:
undetectable
3zq8D-4gi2A:
undetectable		 3zq8C-4gi2A:
5.09
3zq8D-4gi2A:
5.09
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 8 VAL A 410
TRP A 386
HIS A  52
HIS A 393
 None
 0.93A 4exsB-4gi2A:
undetectable		 4exsB-4gi2A:
21.65
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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		3 / 3 TYR A 156
GLN A 151
TRP A 154
 None
 1.10A 4kn2C-4gi2A:
undetectable		 4kn2C-4gi2A:
16.93
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.
4OAE_A_CLMA207_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 12 PHE A 370
ALA A 196
ASN A 405
GLY A 222
LEU A 223
 None
None
MG  A 501 (-4.3A)
NAP  A 502 (-3.2A)
NAP  A 502 (-4.0A)
 1.05A 4oaeA-4gi2A:
undetectable		 4oaeA-4gi2A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WS0_A_URFA301_1
(URACIL-DNA
GLYCOSYLASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 7 GLY A  80
SER A 104
ASN A  79
HIS A 393
 None
 1.15A 4ws0A-4gi2A:
undetectable		 4ws0A-4gi2A:
21.70
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 8 VAL A 410
TRP A 386
HIS A  52
HIS A 393
 None
 0.92A 5a5zA-4gi2A:
undetectable		 5a5zA-4gi2A:
23.03
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.
5C0O_E_SAME301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 12 ALA A 240
GLY A 227
GLY A 221
LEU A 223
ALA A 232
 None
None
NAP  A 502 (-3.3A)
NAP  A 502 (-4.0A)
None
 1.02A 5c0oE-4gi2A:
6.7		 5c0oE-4gi2A:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JWA_A_ACTA612_0
(NADH DEHYDROGENASE,
PUTATIVE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		3 / 3 LYS A 121
ASP A 124
ARG A 119
 None
 1.03A 5jwaA-4gi2A:
3.0
5jwaH-4gi2A:
2.8		 5jwaA-4gi2A:
19.75
5jwaH-4gi2A:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 12 ILE A 216
GLY A 227
VAL A 376
ALA A 238
VAL A 251
 None
 1.15A 5n0oB-4gi2A:
3.8		 5n0oB-4gi2A:
20.33
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.
5N0S_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 12 GLY A 218
VAL A 225
PHE A 226
VAL A 228
ALA A 332
 NAP  A 502 (-3.4A)
None
None
None
NAP  A 502 (-3.6A)
 1.11A 5n0sA-4gi2A:
3.3		 5n0sA-4gi2A:
19.51
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.
5OGC_B_TA1B601_1
(TUBULIN BETA CHAIN)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 12 VAL A 306
GLU A 308
SER A 318
PHE A 289
GLY A 218
 None
None
None
None
NAP  A 502 (-3.4A)
 1.22A 5ogcB-4gi2A:
undetectable		 5ogcB-4gi2A:
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 9 VAL A 329
LEU A 200
ALA A 196
VAL A 214
ILE A 305
 None
 1.21A 5om2A-4gi2A:
undetectable
5om2B-4gi2A:
undetectable		 5om2A-4gi2A:
9.93
5om2B-4gi2A:
8.15
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.
5VVA_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 7 VAL A 420
TRP A 183
TRP A   9
GLU A 421
 None
 1.48A 5vvaA-4gi2A:
undetectable
5vvaB-4gi2A:
undetectable		 5vvaA-4gi2A:
21.44
5vvaB-4gi2A:
21.44
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.
5VVD_B_H4BB502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 7 TRP A   9
GLU A 421
VAL A 420
TRP A 183
 None
 1.47A 5vvdA-4gi2A:
undetectable
5vvdB-4gi2A:
undetectable		 5vvdA-4gi2A:
20.25
5vvdB-4gi2A:
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.
6AV6_B_H4BB503_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 7 TRP A   9
GLU A 421
VAL A 420
TRP A 183
 None
 1.47A 6av6A-4gi2A:
undetectable
6av6B-4gi2A:
undetectable		 6av6A-4gi2A:
11.92
6av6B-4gi2A:
11.92
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.
6CIE_B_H4BB502_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 7 TRP A   9
GLU A 421
VAL A 420
TRP A 183
 None
 1.47A 6cieA-4gi2A:
undetectable
6cieB-4gi2A:
undetectable		 6cieA-4gi2A:
11.92
6cieB-4gi2A:
11.92
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.
6GTQ_A_ACTA205_0
(N-ACETYLTRANSFERASE)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		4 / 4 ALA A 194
ALA A 359
ALA A 364
ALA A 367
 None
 0.86A 6gtqA-4gi2A:
undetectable
6gtqB-4gi2A:
undetectable		 6gtqA-4gi2A:
16.10
6gtqB-4gi2A:
16.10
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.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 12 VAL A 321
VAL A 303
ASP A 264
PHE A 289
VAL A 259
 None
 1.48A 6iblA-4gi2A:
undetectable		 6iblA-4gi2A:
21.64
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.
6IBL_B_H98B501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		 4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E
(Methylobacterium
extorquens) 		5 / 12 VAL A 321
VAL A 303
ASP A 264
PHE A 289
VAL A 259
 None
 1.46A 6iblB-4gi2A:
undetectable		 6iblB-4gi2A:
21.64