SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2ddw'

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.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		5 / 12 GLY A 232
VAL A 260
ALA A  35
ALA A  38
ILE A  34
 None
 0.95A 1bx4A-2ddwA:
18.2		 1bx4A-2ddwA:
23.30
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.
1ERR_A_RALA600_1
(ESTROGEN RECEPTOR)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		5 / 12 ALA A 153
TRP A 191
LEU A 120
ARG A 114
ILE A  18
 None
 1.15A 1errA-2ddwA:
undetectable		 1errA-2ddwA:
24.92
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.
1LIK_A_ADNA799_1
(ADENOSINE KINASE)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		5 / 10 GLY A 232
VAL A 260
ALA A  35
ALA A  38
ILE A  34
 None
 0.97A 1likA-2ddwA:
18.3		 1likA-2ddwA:
24.53
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.
1XDK_F_9CRF1600_1
(RETINOIC ACID
RECEPTOR, BETA)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		5 / 12 PHE A 235
ALA A 256
LEU A 249
ILE A 219
LEU A 243
 None
 0.99A 1xdkF-2ddwA:
undetectable		 1xdkF-2ddwA:
20.57
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.
2V32_B_BEZB1220_0
(PEROXIREDOXIN 6)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		5 / 8 PRO A 126
THR A 157
PRO A 158
VAL A 192
ALA A 153
 None
 1.46A 2v32A-2ddwA:
undetectable
2v32B-2ddwA:
undetectable		 2v32A-2ddwA:
23.65
2v32B-2ddwA:
23.65
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.
2V41_A_BEZA1222_0
(PEROXIREDOXIN 6.)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		5 / 9 THR A 157
PRO A 158
VAL A 192
ALA A 153
PRO A 126
 None
 1.42A 2v41A-2ddwA:
undetectable
2v41B-2ddwA:
undetectable		 2v41A-2ddwA:
23.65
2v41B-2ddwA:
23.65
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.
2V41_B_BEZB1222_0
(PEROXIREDOXIN 6.)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		5 / 9 PRO A 126
THR A 157
PRO A 158
VAL A 192
ALA A 153
 None
 1.43A 2v41A-2ddwA:
undetectable
2v41B-2ddwA:
undetectable		 2v41A-2ddwA:
23.65
2v41B-2ddwA:
23.65
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.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		5 / 8 THR A 157
PRO A 158
VAL A 192
ALA A 153
PRO A 126
 None
 1.40A 2v41G-2ddwA:
undetectable
2v41H-2ddwA:
undetectable		 2v41G-2ddwA:
23.65
2v41H-2ddwA:
23.65
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.
2WD9_B_IBPB1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		4 / 8 LEU A 150
GLY A 155
GLN A 154
THR A 188
 None
 0.75A 2wd9B-2ddwA:
2.9		 2wd9B-2ddwA:
21.19
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.
3BJW_E_SVRE510_3
(PHOSPHOLIPASE A2)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		4 / 5 VAL A 192
VAL A 193
THR A 167
THR A 212
 None
 1.27A 3bjwG-2ddwA:
undetectable		 3bjwG-2ddwA:
17.28
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.
3BJW_F_SVRF509_1
(PHOSPHOLIPASE A2)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		4 / 5 VAL A 192
VAL A 193
THR A 167
THR A 212
 None
 1.22A 3bjwC-2ddwA:
2.4		 3bjwC-2ddwA:
17.28
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.
3BJW_H_SVRH511_2
(PHOSPHOLIPASE A2)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		4 / 5 VAL A 192
VAL A 193
THR A 167
THR A 212
 None
 1.29A 3bjwD-2ddwA:
undetectable		 3bjwD-2ddwA:
17.28
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.
3MBH_C_PXLC400_1
(PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		5 / 12 VAL A  30
LEU A  54
TYR A  96
VAL A 127
ASP A 233
 PXL  A1003 ( 4.3A)
PXL  A1003 ( 4.9A)
PXL  A1003 ( 3.9A)
None
PXL  A1003 (-3.7A)
 0.84A 3mbhC-2ddwA:
29.5		 3mbhC-2ddwA:
28.62
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.
4FU9_A_ACTA311_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		3 / 3 GLN A  22
THR A  94
THR A  93
 None
 0.54A 4fu9A-2ddwA:
undetectable		 4fu9A-2ddwA:
20.83
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.
4FUF_A_ACTA310_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		3 / 3 GLN A  22
THR A  94
THR A  93
 None
 0.53A 4fufA-2ddwA:
undetectable		 4fufA-2ddwA:
20.83
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.
4NJV_A_RITA500_1
(PROTEASE)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		5 / 12 GLY A 242
ALA A 252
ASP A 251
GLY A 257
THR A 157
 None
 0.92A 4njvA-2ddwA:
undetectable		 4njvA-2ddwA:
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.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		5 / 12 ALA A  35
CYH A 236
ALA A  91
ILE A  18
GLY A  95
 None
 1.16A 4r38A-2ddwA:
undetectable		 4r38A-2ddwA:
18.66
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.
4TWD_F_377F402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 2ddw PYRIDOXINE KINASE
(Escherichia
coli) 		4 / 8 ALA A  13
SER A  11
ALA A  85
ALA A  16
 None
 0.79A 4twdF-2ddwA:
undetectable
4twdG-2ddwA:
undetectable
4twdH-2ddwA:
undetectable
4twdI-2ddwA:
undetectable
4twdJ-2ddwA:
undetectable		 4twdF-2ddwA:
23.44
4twdG-2ddwA:
23.44
4twdH-2ddwA:
23.44
4twdI-2ddwA:
23.44
4twdJ-2ddwA:
23.44