SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bqw'

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.
1DIT_P_2PPP1_1
(ALPHA-THROMBIN
PEPTIDE INHIBITOR
CVS995)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		4 / 6 LEU A 217
ILE A 350
ASP A 192
PRO A 189
 None
 1.20A 1ditH-3bqwA:
undetectable
1ditP-3bqwA:
undetectable		 1ditH-3bqwA:
20.87
1ditP-3bqwA:
5.51
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.
1KQE_A_DVAA6_0
(MINI-GRAMICIDIN A)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		3 / 3 ALA A 340
VAL A 338
TRP A 163
 None
 0.84A 1kqeA-3bqwA:
undetectable
1kqeE-3bqwA:
undetectable		 1kqeA-3bqwA:
4.30
1kqeE-3bqwA:
4.30
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.
1KQE_B_DVAB6_0
(MINI-GRAMICIDIN A)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		3 / 3 ALA A 340
VAL A 338
TRP A 163
 None
 0.85A 1kqeB-3bqwA:
undetectable
1kqeD-3bqwA:
undetectable		 1kqeB-3bqwA:
4.30
1kqeD-3bqwA:
4.30
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.
1KQE_D_DVAD6_0
(MINI-GRAMICIDIN A)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		3 / 3 TRP A 163
ALA A 340
VAL A 338
 None
 0.85A 1kqeB-3bqwA:
undetectable
1kqeD-3bqwA:
undetectable		 1kqeB-3bqwA:
4.30
1kqeD-3bqwA:
4.30
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.
1KQE_E_DVAE6_0
(MINI-GRAMICIDIN A)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		3 / 3 TRP A 163
ALA A 340
VAL A 338
 None
 0.84A 1kqeA-3bqwA:
undetectable
1kqeE-3bqwA:
undetectable		 1kqeA-3bqwA:
4.30
1kqeE-3bqwA:
4.30
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.
1S9P_B_DESB459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		5 / 12 ALA A 197
MET A 207
LEU A 284
VAL A 348
LEU A 217
 None
 1.28A 1s9pB-3bqwA:
undetectable		 1s9pB-3bqwA:
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.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		4 / 5 LEU A  52
ASP A  53
VAL A  57
ILE A  54
 None
 0.98A 2aoiB-3bqwA:
undetectable		 2aoiB-3bqwA:
15.24
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.
2VDY_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		5 / 12 SER A 249
VAL A 248
THR A 287
PHE A  35
ILE A 208
 None
 1.41A 2vdyB-3bqwA:
undetectable		 2vdyB-3bqwA:
22.38
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		5 / 12 VAL A 141
ALA A 140
ALA A 134
ILE A 208
THR A 145
 None
 1.30A 3dl9B-3bqwA:
undetectable		 3dl9B-3bqwA:
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		3 / 3 ARG A 127
GLU A  24
TYR A  16
 None
 0.88A 3k37B-3bqwA:
undetectable		 3k37B-3bqwA:
22.17
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.
3SU9_A_ACTA426_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		3 / 3 GLN A 330
GLU A 154
LYS A  88
 None
 1.06A 3su9A-3bqwA:
undetectable		 3su9A-3bqwA:
22.52
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.
4C49_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		5 / 12 SER A 249
VAL A 248
THR A 287
PHE A  35
ILE A 208
 None
 1.45A 4c49B-3bqwA:
undetectable		 4c49B-3bqwA:
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.
4C49_D_HCYD1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		5 / 12 SER A 249
VAL A 248
THR A 287
PHE A  35
ILE A 208
 None
 1.43A 4c49D-3bqwA:
undetectable		 4c49D-3bqwA:
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.
4O1E_A_C2FA3000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		5 / 12 ASN A  46
ILE A  47
GLY A 153
ILE A 156
ASN A 149
 None
 1.09A 4o1eA-3bqwA:
undetectable		 4o1eA-3bqwA:
19.02
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.
4O1E_B_C2FB4000_0
(DIHYDROPTEROATE
SYNTHASE DHPS)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		5 / 12 ASN A  46
ILE A  47
GLY A 153
ILE A 156
ASN A 149
 None
 1.14A 4o1eB-3bqwA:
undetectable		 4o1eB-3bqwA:
19.02
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.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		3 / 3 ASP A 106
ARG A 126
ARG A  19
 None
 0.86A 4x5iA-3bqwA:
undetectable		 4x5iA-3bqwA:
17.27
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.
4YIA_B_IMNB401_2
(THYROXINE-BINDING
GLOBULIN)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		3 / 3 LEU A 120
ARG A 119
ARG A 116
 None
 0.85A 4yiaB-3bqwA:
undetectable		 4yiaB-3bqwA:
8.05
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.
5EAJ_B_FOLB201_1
(DIHYDROFOLATE
REDUCTASE)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		3 / 3 ASP A 106
ARG A 126
ARG A  19
 None
 0.75A 5eajB-3bqwA:
undetectable		 5eajB-3bqwA:
17.27
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.
5Y7P_B_CHDB401_0
(BILE SALT HYDROLASE)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		5 / 10 ILE A 208
LEU A  30
PHE A  35
ASN A 288
ALA A 236
 None
 1.26A 5y7pB-3bqwA:
undetectable		 5y7pB-3bqwA:
21.96
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.
5Y7P_D_CHDD401_0
(BILE SALT HYDROLASE)		 3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE
(Escherichia
coli) 		5 / 10 ILE A 208
LEU A  30
PHE A  35
ASN A 288
ALA A 236
 None
 1.25A 5y7pD-3bqwA:
undetectable		 5y7pD-3bqwA:
21.96