SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2dua'

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.
2AJY_H_BEZH306_0
(ANTIBODY 7A1 FAB')		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		4 / 4 ASN A 236
ALA A 238
ARG A 240
TYR A 234
 None
 1.34A 2ajyH-2duaA:
0.0		 2ajyH-2duaA:
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.
2AK1_H_BEZH401_0
(ANTIBODY 7A1 FAB')		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		4 / 4 ASN A 236
ALA A 238
ARG A 240
TYR A 234
 None
 1.33A 2ak1H-2duaA:
0.0		 2ak1H-2duaA:
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.
2OKC_A_SAMA500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		5 / 12 ALA A 174
GLY A 172
GLY A 204
VAL A 156
ARG A 130
 None
 1.00A 2okcA-2duaA:
undetectable		 2okcA-2duaA:
22.77
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.
2OKC_B_SAMB500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		5 / 12 ALA A 174
GLY A 172
GLY A 204
VAL A 156
ARG A 130
 None
 0.97A 2okcB-2duaA:
undetectable		 2okcB-2duaA:
22.77
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.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		5 / 12 LEU A   7
ALA A  80
ALA A  71
VAL A  74
VAL A 209
 None
 1.10A 3c6gB-2duaA:
undetectable		 3c6gB-2duaA:
21.78
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		5 / 12 LEU A   7
ALA A  80
ALA A  71
VAL A  74
VAL A 209
 None
 1.09A 3czhB-2duaA:
undetectable		 3czhB-2duaA:
21.78
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.
3EM0_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		5 / 12 ILE A 153
ILE A  79
GLY A  37
LEU A  16
LEU A  11
 None
 1.11A 3em0B-2duaA:
undetectable		 3em0B-2duaA:
19.16
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.
3KK6_A_CELA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		5 / 6 HIS A  63
SER A  42
LEU A   7
ILE A  39
LEU A 184
 None
OXL  A 291 (-2.5A)
None
None
None
 1.21A 3kk6A-2duaA:
undetectable		 3kk6A-2duaA:
18.81
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.
3SUD_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		5 / 12 ILE A  70
GLY A  38
ALA A  19
ALA A  21
ALA A  22
 None
 1.01A 3sudC-2duaA:
undetectable		 3sudC-2duaA:
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.
3TIC_A_ZMRA1002_2
(NEURAMINIDASE)		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		4 / 5 LEU A 159
ARG A 171
ILE A 131
ARG A 170
 None
 1.28A 3ticA-2duaA:
undetectable		 3ticA-2duaA:
18.79
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.
5I6X_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		5 / 10 ALA A 139
ILE A 138
TYR A 175
GLY A  85
GLY A 136
 None
 1.09A 5i6xA-2duaA:
undetectable		 5i6xA-2duaA:
19.93
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.
5JNC_D_ACTD305_0
(CARBONIC ANHYDRASE 4)		 2dua PHOSPHONOPYRUVATE
HYDROLASE
(Variovorax
sp.
Pal2) 		4 / 5 ALA A  22
ALA A  28
ILE A  39
LEU A  78
 None
 0.71A 5jncD-2duaA:
undetectable		 5jncD-2duaA:
19.74