SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4wr3'

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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 7 HIS A  40
GLY A  39
ALA A  37
TYR A  38
 None
None
None
PLP  A1001 (-4.4A)
 0.88A 1dmaA-4wr3A:
undetectable		 1dmaA-4wr3A:
20.61
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.
1G50_C_ESTC2600_1
(ESTROGEN RECEPTOR)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		5 / 11 LEU A 349
MET A 235
ILE A   8
GLY A  41
HIS A  40
 None
 1.29A 1g50C-4wr3A:
undetectable		 1g50C-4wr3A:
21.82
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.
1GRM_A_DVAA6_0
(GRAMICIDIN A)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		3 / 3 ALA A   4
VAL A   6
TRP A 325
 None
 0.94A 1grmA-4wr3A:
undetectable		 1grmA-4wr3A:
4.36
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.
1GRM_B_DVAB6_0
(GRAMICIDIN A)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		3 / 3 ALA A   4
VAL A   6
TRP A 325
 None
 0.94A 1grmB-4wr3A:
undetectable		 1grmB-4wr3A:
4.36
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.
1VPT_A_SAMA400_0
(VP39)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		5 / 12 GLY A 211
GLY A 216
VAL A  32
ALA A  31
LEU A  78
 PLP  A1001 (-3.3A)
None
PLP  A1001 ( 4.6A)
None
PLP  A1001 ( 3.9A)
 0.90A 1vptA-4wr3A:
undetectable		 1vptA-4wr3A:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XQL_A_4AXA605_1
(ALANINE RACEMASE)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 8 LYS A  34
TYR A  38
ARG A 129
TYR A 343
 PLP  A1001 ( 1.3A)
PLP  A1001 (-4.4A)
SO4  A1002 ( 3.8A)
PLP  A1001 (-4.6A)
 1.17A 1xqlA-4wr3A:
40.3
1xqlB-4wr3A:
40.4		 1xqlA-4wr3A:
32.22
1xqlB-4wr3A:
32.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1XQL_B_4AXB505_1
(ALANINE RACEMASE)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 8 LYS A  34
TYR A  38
ARG A 129
TYR A 343
 PLP  A1001 ( 1.3A)
PLP  A1001 (-4.4A)
SO4  A1002 ( 3.8A)
PLP  A1001 (-4.6A)
 1.25A 1xqlA-4wr3A:
40.3
1xqlB-4wr3A:
40.4		 1xqlA-4wr3A:
32.22
1xqlB-4wr3A:
32.22
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.
2QBN_A_CAMA442_0
(CYTOCHROME P450-CAM)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 7 VAL A 269
VAL A 290
ASP A 320
VAL A 322
 None
 0.99A 2qbnA-4wr3A:
undetectable		 2qbnA-4wr3A:
22.35
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.
3BGD_B_PM6B301_1
(THIOPURINE
S-METHYLTRANSFERASE)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 8 PHE A  55
GLY A  56
LEU A  77
ARG A  67
 None
 1.08A 3bgdB-4wr3A:
undetectable		 3bgdB-4wr3A:
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		5 / 12 VAL A   7
ALA A  12
GLU A 327
ILE A 323
THR A   5
 None
 1.28A 3dl9B-4wr3A:
undetectable		 3dl9B-4wr3A:
22.61
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.
3TL9_A_ROCA401_4
(PROTEASE)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 4 ASP A 316
ASP A 320
GLY A 292
THR A 238
 None
 1.20A 3tl9B-4wr3A:
undetectable		 3tl9B-4wr3A:
15.66
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.
3WIP_B_ACHB301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 8 TRP A 120
THR A 118
TRP A 207
ARG A 151
 None
 1.41A 3wipB-4wr3A:
undetectable
3wipC-4wr3A:
undetectable		 3wipB-4wr3A:
20.49
3wipC-4wr3A:
20.49
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.
3WIP_C_ACHC301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 8 TRP A 120
THR A 118
TRP A 207
ARG A 151
 None
 1.42A 3wipC-4wr3A:
undetectable
3wipD-4wr3A:
undetectable		 3wipC-4wr3A:
20.49
3wipD-4wr3A:
20.49
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.
3WIP_E_ACHE301_0
(ACETYLCHOLINE-BINDIN
G PROTEIN)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 8 TRP A 207
ARG A 151
TRP A 120
THR A 118
 None
 1.43A 3wipA-4wr3A:
undetectable
3wipE-4wr3A:
undetectable		 3wipA-4wr3A:
20.49
3wipE-4wr3A:
20.49
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.
3WRI_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 5 LEU A 241
GLY A 268
ILE A 297
VAL A 298
 None
 0.88A 3wriA-4wr3A:
undetectable		 3wriA-4wr3A:
22.35
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.
3WRI_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 5 LEU A 241
GLY A 268
ILE A 297
VAL A 298
 None
 0.88A 3wriB-4wr3A:
undetectable		 3wriB-4wr3A:
22.35
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.
4E1V_B_URFB1301_1
(URIDINE
PHOSPHORYLASE)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 7 GLY A 126
ARG A 133
ILE A 177
PRO A 134
 None
 1.06A 4e1vB-4wr3A:
undetectable		 4e1vB-4wr3A:
21.93
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.
4L1W_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 7 TYR A 357
ILE A  71
LEU A  13
LEU A  49
 None
 1.02A 4l1wA-4wr3A:
undetectable		 4l1wA-4wr3A:
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.
4LB2_A_DM5A602_1
(SERUM ALBUMIN)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 7 PRO A 210
VAL A  30
MET A  29
ALA A  52
 None
 1.11A 4lb2A-4wr3A:
undetectable		 4lb2A-4wr3A:
20.54
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.
4XE3_A_CL6A502_1
(CYTOCHROME P-450)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 5 LEU A 237
THR A 286
VAL A 301
ILE A 297
 None
 0.84A 4xe3A-4wr3A:
undetectable		 4xe3A-4wr3A:
24.59
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.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 6 PRO A 219
ILE A 197
VAL A  32
ARG A  19
 None
None
PLP  A1001 ( 4.6A)
None
 1.17A 4xe5A-4wr3A:
undetectable		 4xe5A-4wr3A:
17.31
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.
5KOC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		5 / 12 GLY A  80
GLN A 104
VAL A 157
VAL A  57
ALA A  58
 None
 1.04A 5kocA-4wr3A:
undetectable		 5kocA-4wr3A:
22.86
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.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		3 / 3 THR A 125
MET A 127
HIS A 128
 None
SO4  A1002 ( 4.9A)
None
 1.01A 5uunA-4wr3A:
undetectable		 5uunA-4wr3A:
22.81
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.
6DH0_A_017A101_1
(PROTEASE)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		5 / 12 ARG A 129
GLY A  80
ALA A  98
VAL A 157
GLY A  56
 SO4  A1002 ( 3.8A)
None
None
None
None
 1.02A 6dh0B-4wr3A:
undetectable		 6dh0B-4wr3A:
14.20
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.
6DH6_A_017A104_1
(PROTEASE)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		5 / 12 ARG A 129
GLY A  80
ALA A  98
VAL A 157
GLY A  56
 SO4  A1002 ( 3.8A)
None
None
None
None
 0.94A 6dh6B-4wr3A:
undetectable		 6dh6B-4wr3A:
13.91
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.
6FBV_D_FI8D1904_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		4 / 8 ARG A  59
GLU A  62
VAL A  32
GLN A 104
 None
None
PLP  A1001 ( 4.6A)
None
 1.13A 6fbvD-4wr3A:
undetectable		 6fbvD-4wr3A:
13.80
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)		 4wr3 ALANINE RACEMASE,
BIOSYNTHETIC
(Escherichia
coli) 		5 / 12 LEU A 345
PRO A 279
THR A 258
TRP A 259
GLY A 299
 None
 1.41A 6mn8A-4wr3A:
undetectable		 6mn8A-4wr3A:
20.66