SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4bin'

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.
1BCU_H_PRLH280_0
(ALPHA-THROMBIN)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 9 ASP A 267
ALA A 266
GLU A 383
VAL A 215
GLY A 202
 ZN  A 500 (-2.3A)
None
None
None
None
 1.07A 1bcuH-4binA:
undetectable		 1bcuH-4binA:
19.22
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.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 10 SER A 302
ASN A 300
GLY A 195
ARG A 238
GLU A 211
 None
None
None
None
ZN  A 500 (-2.2A)
 1.31A 1mehA-4binA:
undetectable		 1mehA-4binA:
21.36
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.
1QLT_A_ACTA601_0
(VANILLYL-ALCOHOL
OXIDASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		4 / 5 PHE A 243
ILE A 244
TYR A  47
ARG A  49
 None
 1.32A 1qltA-4binA:
undetectable		 1qltA-4binA:
20.98
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.
1QLT_B_ACTB601_0
(VANILLYL-ALCOHOL
OXIDASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		4 / 5 PHE A 243
ILE A 244
TYR A  47
ARG A  49
 None
 1.31A 1qltB-4binA:
0.3		 1qltB-4binA:
20.98
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.
1VAO_A_ACTA601_0
(VANILLYL-ALCOHOL
OXIDASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		4 / 5 PHE A 243
ILE A 244
TYR A  47
ARG A  49
 None
 1.31A 1vaoA-4binA:
0.3		 1vaoA-4binA:
21.02
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.
1VAO_B_ACTB601_0
(VANILLYL-ALCOHOL
OXIDASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		4 / 5 PHE A 243
ILE A 244
TYR A  47
ARG A  49
 None
 1.31A 1vaoB-4binA:
0.2		 1vaoB-4binA:
21.02
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.
2E1Q_C_SALC4006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		4 / 6 ARG A  40
THR A  51
VAL A 139
LEU A 128
 None
 1.06A 2e1qC-4binA:
undetectable		 2e1qC-4binA:
14.77
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.
2OIP_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 ASP A  95
LYS A  99
SER A 100
ARG A 102
THR A  48
 None
 1.14A 2oipB-4binA:
2.1		 2oipB-4binA:
21.88
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.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 ILE A 305
GLY A 197
HIS A 196
HIS A 265
SER A 263
 None
None
ZN  A 500 (-3.4A)
ZN  A 500 (-3.3A)
None
 1.29A 2pgfA-4binA:
undetectable		 2pgfA-4binA:
22.87
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.
2QBN_A_CAMA442_0
(CYTOCHROME P450-CAM)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		4 / 7 PHE A 115
VAL A 111
VAL A  39
VAL A  52
 None
 0.98A 2qbnA-4binA:
undetectable		 2qbnA-4binA:
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.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 SER A 369
SER A 332
THR A 328
GLY A 176
ALA A 258
 None
 1.27A 2x2iA-4binA:
undetectable		 2x2iA-4binA:
17.53
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.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 VAL A 250
SER A 369
SER A 332
GLY A 176
ALA A 258
 None
 1.22A 2x2iA-4binA:
undetectable		 2x2iA-4binA:
17.53
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.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 10 VAL A 250
SER A 369
SER A 332
GLY A 176
ALA A 258
 None
 1.22A 2x2iB-4binA:
undetectable		 2x2iB-4binA:
17.53
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.
3EM0_B_CHDB150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 PHE A 407
ILE A 188
VAL A 279
LEU A 340
ILE A 370
 None
 1.26A 3em0B-4binA:
undetectable		 3em0B-4binA:
17.87
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.
3N58_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		4 / 5 LEU A 295
THR A 298
GLU A 373
HIS A 350
 None
 1.16A 3n58C-4binA:
undetectable		 3n58C-4binA:
21.36
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.
3R75_A_BEZA701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 SER A 275
GLY A 276
GLU A 382
HIS A 350
SER A 378
 None
 1.46A 3r75A-4binA:
undetectable		 3r75A-4binA:
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.
3R75_B_BEZB701_0
(ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 SER A 275
GLY A 276
GLU A 382
HIS A 350
SER A 378
 None
 1.45A 3r75B-4binA:
undetectable		 3r75B-4binA:
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.
3TEH_A_DAHA351_1
(PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 9 HIS A 265
ARG A 249
GLU A 211
ALA A 268
GLY A 202
 ZN  A 500 (-3.3A)
None
ZN  A 500 (-2.2A)
None
None
 1.47A 3tehA-4binA:
0.6		 3tehA-4binA:
23.67
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.
4EIL_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 9 ASP A  95
LYS A  99
SER A 100
ARG A 102
THR A  48
 None
 1.27A 4eilH-4binA:
undetectable		 4eilH-4binA:
21.02
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.
4EIL_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 9 VAL A  50
ASP A  95
LYS A  99
SER A 100
THR A  48
 None
 1.39A 4eilH-4binA:
undetectable		 4eilH-4binA:
21.02
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.
4G19_A_ACTA304_0
(GLUTATHIONE
TRANSFERASE GTE1)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		4 / 5 ALA A 401
ILE A 346
LEU A 343
LYS A 342
 None
 1.23A 4g19A-4binA:
undetectable		 4g19A-4binA:
20.99
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.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 VAL A  83
TRP A  42
GLU A 199
SER A 201
GLY A 198
 None
 1.39A 4hvcA-4binA:
5.3		 4hvcA-4binA:
23.02
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		3 / 3 ASP A  95
ARG A 102
THR A  48
 None
 0.71A 4i13A-4binA:
2.1		 4i13A-4binA:
16.30
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.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 VAL A  83
TRP A  42
GLU A 199
SER A 201
GLY A 198
 None
 1.36A 4olfA-4binA:
5.3		 4olfA-4binA:
22.45
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.
4P3R_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		3 / 3 ASP A  95
ARG A 102
THR A  48
 None
 0.71A 4p3rA-4binA:
undetectable		 4p3rA-4binA:
16.30
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		6 / 12 LEU A  84
VAL A  39
VAL A  73
LEU A 142
PHE A 115
MET A 113
 None
 1.26A 4y0pA-4binA:
undetectable		 4y0pA-4binA:
18.55
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.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		6 / 12 LEU A  84
VAL A  39
VAL A  73
VAL A  71
LEU A 142
MET A 113
 None
 1.10A 4y0pA-4binA:
undetectable		 4y0pA-4binA:
18.55
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.
4Y0S_A_PX9A201_0
(BETA-LACTOGLOBULIN)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		6 / 12 VAL A  39
ILE A  75
VAL A  73
VAL A  71
LEU A 142
PHE A 115
 None
 1.25A 4y0sA-4binA:
undetectable		 4y0sA-4binA:
17.85
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.
4Y0S_A_PX9A201_0
(BETA-LACTOGLOBULIN)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		6 / 12 VAL A  39
LEU A 125
ILE A  75
VAL A  71
LEU A 142
PHE A 115
 None
 1.14A 4y0sA-4binA:
undetectable		 4y0sA-4binA:
17.85
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.
4Y0S_A_PX9A201_0
(BETA-LACTOGLOBULIN)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		6 / 12 VAL A  39
VAL A  73
VAL A  71
LEU A 142
PHE A 115
MET A 113
 None
 1.15A 4y0sA-4binA:
undetectable		 4y0sA-4binA:
17.85
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.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 LEU A 158
VAL A 248
PRO A 245
ARG A 249
GLY A 202
 None
 1.32A 5f9zA-4binA:
4.1		 5f9zA-4binA:
22.54
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.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 LEU A 158
VAL A 248
PRO A 245
ARG A 249
GLY A 202
 None
 1.36A 5f9zB-4binA:
5.2		 5f9zB-4binA:
22.54
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.
5F9Z_B_HFGB703_0
(AMINOACYL-TRNA
SYNTHETASE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 VAL A  83
TRP A  42
GLU A 199
SER A 201
GLY A 198
 None
 1.35A 5f9zB-4binA:
5.2		 5f9zB-4binA:
22.54
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.
5NUN_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 9 ALA A 405
ILE A 190
ILE A 188
PHE A 335
ALA A 338
 None
 0.96A 5nunA-4binA:
undetectable		 5nunA-4binA:
14.09
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.
5XIO_A_HFGA801_0
(PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE))		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 VAL A  83
TRP A  42
GLU A 199
SER A 201
GLY A 198
 None
 1.39A 5xioA-4binA:
4.6		 5xioA-4binA:
21.41
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.
6I0Y_A_TRPA3001_0
(23S RIBOSOMAL RNA
TRYPTOPHANASE OPERON
LEADER PEPTIDE)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		3 / 3 TRP A  42
ILE A 242
ASP A 241
 None
 0.82A 6i0y7-4binA:
undetectable		 6i0y7-4binA:
3.47
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.
6MA6_A_MYTA603_0
(CYTOCHROME P450 3A4)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		4 / 6 ARG A 238
ALA A 266
THR A 374
ALA A 219
 None
 1.12A 6ma6A-4binA:
undetectable		 6ma6A-4binA:
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.
6MN8_A_HFGA603_0
(UNCHARACTERIZED
PROTEIN)		 4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC
(Escherichia
coli) 		5 / 12 VAL A  83
TRP A  42
GLU A 199
SER A 201
GLY A 198
 None
 1.36A 6mn8A-4binA:
4.6		 6mn8A-4binA:
23.05