SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1kqg'

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.
3BGD_A_PM6A302_1
(THIOPURINE
S-METHYLTRANSFERASE)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		4 / 6 HIS B 229
GLN B 233
LEU B  94
LEU B 236
 None
 0.88A 3bgdA-1kqgB:
0.0		 3bgdA-1kqgB:
21.94
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.
3BGD_B_PM6B302_1
(THIOPURINE
S-METHYLTRANSFERASE)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		4 / 7 HIS B 229
GLN B 233
LEU B  94
LEU B 236
 None
 0.87A 3bgdB-1kqgB:
undetectable		 3bgdB-1kqgB:
21.94
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.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		4 / 4 ILE B 184
ARG B  81
ILE B  34
THR B 178
 SF4  B 805 (-4.8A)
None
None
None
 1.08A 3ia4C-1kqgB:
undetectable		 3ia4C-1kqgB:
18.33
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.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		4 / 7 ASP B  35
SER B  37
TYR B 237
HIS B 229
 None
 1.17A 4arcA-1kqgB:
undetectable		 4arcA-1kqgB:
14.96
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.
4I41_A_MIXA501_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 12 ILE B   8
ASP B   7
VAL B 167
ASP B 127
ILE B 125
 None
 1.36A 4i41A-1kqgB:
undetectable		 4i41A-1kqgB:
20.68
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.
4J4V_A_SVRA301_1
(NUCLEOCAPSID PROTEIN)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 11 GLY B 221
ASN B 215
ALA B 196
MET B 101
PHE B 145
 None
None
None
None
SF4  B 807 (-4.7A)
 1.23A 4j4vA-1kqgB:
undetectable		 4j4vA-1kqgB:
21.62
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.
4J4V_B_SVRB301_1
(NUCLEOCAPSID PROTEIN)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 10 GLY B 221
ASN B 215
ALA B 196
MET B 101
PHE B 145
 None
None
None
None
SF4  B 807 (-4.7A)
 1.22A 4j4vB-1kqgB:
undetectable		 4j4vB-1kqgB:
21.62
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.
4J4V_D_SVRD301_1
(NUCLEOCAPSID PROTEIN)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 11 GLY B 221
ASN B 215
ALA B 196
MET B 101
PHE B 145
 None
None
None
None
SF4  B 807 (-4.7A)
 1.23A 4j4vD-1kqgB:
undetectable
4j4vE-1kqgB:
undetectable		 4j4vD-1kqgB:
21.62
4j4vE-1kqgB:
21.62
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.
4J4V_E_SVRE301_1
(NUCLEOCAPSID PROTEIN)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		5 / 10 GLY B 221
ASN B 215
ALA B 196
MET B 101
PHE B 145
 None
None
None
None
SF4  B 807 (-4.7A)
 1.21A 4j4vA-1kqgB:
undetectable
4j4vE-1kqgB:
undetectable		 4j4vA-1kqgB:
21.62
4j4vE-1kqgB:
21.62
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.
4O4D_A_ACTA406_0
(INOSITOL
HEXAKISPHOSPHATE
KINASE)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		4 / 7 ASP B  67
PHE B  82
SER B  83
HIS B 238
 None
 1.45A 4o4dA-1kqgB:
undetectable		 4o4dA-1kqgB:
18.87
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.
5KIR_A_RCXA601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT
(Escherichia
coli) 		3 / 3 ARG B  81
ILE B  95
PHE B  82
 None
 0.73A 5kirA-1kqgB:
0.0		 5kirA-1kqgB:
18.83