SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2pyu'

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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		5 / 11 ALA A  65
VAL A  14
LEU A  17
ALA A  18
THR A  61
 None
 1.06A 1jinA-2pyuA:
undetectable		 1jinA-2pyuA:
23.15
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		3 / 3 PHE A 154
LYS A 177
SER A 178
 IMP  A3036 (-3.8A)
IMP  A3036 (-2.7A)
None
 1.25A 3tyeB-2pyuA:
undetectable		 3tyeB-2pyuA:
26.42
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.
3WG7_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		4 / 6 ARG A 126
LEU A  -6
PHE A  24
LEU A 134
 None
 1.05A 3wg7P-2pyuA:
undetectable
3wg7W-2pyuA:
undetectable		 3wg7P-2pyuA:
21.93
3wg7W-2pyuA:
14.16
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)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		4 / 5 ALA A  69
ILE A  51
LEU A  52
LYS A  53
 None
None
None
IMP  A3036 ( 4.6A)
 1.22A 4g19A-2pyuA:
undetectable		 4g19A-2pyuA:
23.05
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.
5IY5_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		4 / 5 ARG A 126
LEU A  -6
PHE A  24
LEU A 134
 None
 1.12A 5iy5P-2pyuA:
undetectable
5iy5W-2pyuA:
undetectable		 5iy5P-2pyuA:
21.93
5iy5W-2pyuA:
14.22
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.
5UXC_A_ZITA307_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		4 / 5 ASP A 157
GLU A 175
ARG A 174
THR A 173
 IMP  A3036 (-2.9A)
None
None
None
 1.21A 5uxcA-2pyuA:
undetectable		 5uxcA-2pyuA:
20.00
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.
5W97_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		4 / 6 ARG A 126
LEU A  -6
PHE A  24
LEU A 134
 None
 1.09A 5w97C-2pyuA:
undetectable
5w97J-2pyuA:
undetectable		 5w97C-2pyuA:
21.93
5w97J-2pyuA:
14.16
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.
5X1B_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		4 / 5 ARG A 126
LEU A  -6
PHE A  24
LEU A 134
 None
 1.13A 5x1bP-2pyuA:
undetectable		 5x1bP-2pyuA:
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.
5X1F_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		4 / 5 ARG A 126
LEU A  -6
PHE A  24
LEU A 134
 None
 1.08A 5x1fC-2pyuA:
undetectable
5x1fJ-2pyuA:
undetectable		 5x1fC-2pyuA:
21.93
5x1fJ-2pyuA:
14.16
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.
5XDX_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		4 / 5 ARG A 126
LEU A  -6
PHE A  24
LEU A 134
 None
 1.08A 5xdxC-2pyuA:
undetectable
5xdxJ-2pyuA:
undetectable		 5xdxC-2pyuA:
21.27
5xdxJ-2pyuA:
14.16
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.
5XDX_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		4 / 5 ARG A 126
LEU A  -6
PHE A  24
LEU A 134
 None
 1.09A 5xdxP-2pyuA:
undetectable
5xdxW-2pyuA:
undetectable		 5xdxP-2pyuA:
21.27
5xdxW-2pyuA:
14.16
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.
5XXI_A_LSNA501_2
(CYTOCHROME P450 2C9)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		4 / 4 PHE A  24
LEU A   6
LEU A 190
VAL A   4
 None
 1.36A 5xxiA-2pyuA:
undetectable		 5xxiA-2pyuA:
18.98
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.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2pyu INOSINE TRIPHOSPHATE
PYROPHOSPHATASE RDGB
(Escherichia
coli) 		3 / 3 ASN A  49
VAL A  36
HIS A  56
 None
 0.79A 6a5yD-2pyuA:
undetectable		 6a5yD-2pyuA:
13.89