SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3gr3'

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.
1FBM_B_RTLB951_2
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		 3gr3 NITROREDUCTASE
(Bartonella
henselae) 		4 / 4 THR A  56
LEU A  60
VAL A  63
LEU A  67
 None
 0.88A 1fbmD-3gr3A:
undetectable		 1fbmD-3gr3A:
14.80
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.
2AZX_A_TRPA602_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3gr3 NITROREDUCTASE
(Bartonella
henselae) 		4 / 8 LEU A  55
ILE A  59
LEU A 184
ILE A 181
 None
 0.93A 2azxA-3gr3A:
undetectable		 2azxA-3gr3A:
18.62
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.
2VPP_B_GEOB1207_1
(DEOXYNUCLEOSIDE
KINASE)		 3gr3 NITROREDUCTASE
(Bartonella
henselae) 		5 / 12 ILE A 193
VAL A  63
PHE A 127
GLN A 171
ALA A 173
 None
None
None
None
FMN  A 230 ( 3.4A)
 1.32A 2vppB-3gr3A:
undetectable		 2vppB-3gr3A:
20.31
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.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		 3gr3 NITROREDUCTASE
(Bartonella
henselae) 		4 / 7 TYR A 201
ARG A 202
GLY A 129
VAL A 132
 None
 0.96A 2y05A-3gr3A:
undetectable
2y05B-3gr3A:
undetectable		 2y05A-3gr3A:
19.39
2y05B-3gr3A:
19.39
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		 3gr3 NITROREDUCTASE
(Bartonella
henselae) 		5 / 12 PHE A 153
LEU A 166
VAL A  26
THR A  27
PHE A 164
 None
None
None
None
ACT  A 236 ( 4.4A)
 1.22A 4wnwA-3gr3A:
undetectable		 4wnwA-3gr3A:
21.89
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		 3gr3 NITROREDUCTASE
(Bartonella
henselae) 		4 / 8 SER A  68
GLY A  64
ALA A  20
GLY A 129
 None
 0.91A 5albL-3gr3A:
undetectable		 5albL-3gr3A:
21.51
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.
5KXI_A_NCTA402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 3gr3 NITROREDUCTASE
(Bartonella
henselae) 		4 / 8 TYR A  81
THR A 137
TRP A 147
LEU A 150
 None
 1.30A 5kxiA-3gr3A:
undetectable
5kxiB-3gr3A:
undetectable		 5kxiA-3gr3A:
18.30
5kxiB-3gr3A:
19.36
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.
5KXI_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 3gr3 NITROREDUCTASE
(Bartonella
henselae) 		4 / 8 TYR A  81
THR A 137
TRP A 147
LEU A 150
 None
 1.35A 5kxiD-3gr3A:
undetectable
5kxiE-3gr3A:
undetectable		 5kxiD-3gr3A:
18.30
5kxiE-3gr3A:
19.36
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.
5NUK_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 3gr3 NITROREDUCTASE
(Bartonella
henselae) 		5 / 10 ALA A 198
ILE A  34
ILE A  31
VAL A  26
ALA A 130
 None
 1.23A 5nukA-3gr3A:
undetectable		 5nukA-3gr3A:
15.49
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.
5X5Q_B_D16B402_1
(THYMIDYLATE SYNTHASE)		 3gr3 NITROREDUCTASE
(Bartonella
henselae) 		5 / 12 ILE A  34
LEU A 134
THR A  56
MET A 197
ALA A 170
 None
None
None
None
FMN  A 230 (-3.6A)
 1.13A 5x5qB-3gr3A:
undetectable		 5x5qB-3gr3A:
24.00