SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qyi'

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.
1RQP_B_SAMB500_1
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 4qyi HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE
(Bacillus
anthracis) 		4 / 8 PHE A  45
PHE A  63
ARG A  53
ALA A  39
 None
 0.89A 1rqpC-4qyiA:
undetectable		 1rqpC-4qyiA:
18.67
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.
1RQP_C_SAMC500_0
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 4qyi HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE
(Bacillus
anthracis) 		4 / 8 PHE A  45
PHE A  63
ARG A  53
ALA A  39
 None
 0.88A 1rqpA-4qyiA:
undetectable		 1rqpA-4qyiA:
18.67
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.
1Z2B_C_VLBC800_2
(TUBULIN ALPHA CHAIN)		 4qyi HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE
(Bacillus
anthracis) 		4 / 5 VAL A  87
ASN A  88
VAL A  36
ILE A  38
 None
 0.93A 1z2bC-4qyiA:
3.5		 1z2bC-4qyiA:
16.85
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.
2V7U_A_SAMA1299_0
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 4qyi HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE
(Bacillus
anthracis) 		4 / 8 PHE A  45
PHE A  63
ARG A  53
ALA A  39
 None
 0.88A 2v7uA-4qyiA:
undetectable		 2v7uA-4qyiA:
18.67
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.
5E72_A_SAMA400_1
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		 4qyi HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE
(Bacillus
anthracis) 		4 / 4 ASP A 158
GLY A  43
ASP A  99
ASP A 102
 PO4  A 202 (-4.3A)
PO4  A 202 (-3.6A)
MG  A 201 (-2.5A)
PO4  A 203 (-3.7A)
 0.96A 5e72A-4qyiA:
undetectable		 5e72A-4qyiA:
20.63
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.
5E8Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 4qyi HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE
(Bacillus
anthracis) 		3 / 3 ASP A  99
LEU A 138
ARG A 134
 MG  A 201 (-2.5A)
None
None
 0.83A 5e8qA-4qyiA:
undetectable		 5e8qA-4qyiA:
21.88
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.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		 4qyi HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE
(Bacillus
anthracis) 		5 / 9 LEU A 122
VAL A  94
VAL A  96
ILE A  64
ILE A  85
 None
 1.17A 5yf9X-4qyiA:
undetectable		 5yf9X-4qyiA:
15.22
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.
6GSD_A_STRA401_0
(PROGESTERONE
5-BETA-REDUCTASE)		 4qyi HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE
(Bacillus
anthracis) 		5 / 12 VAL A  59
ILE A  35
SER A  44
VAL A  96
ILE A  95
 None
 1.49A 6gsdA-4qyiA:
3.6		 6gsdA-4qyiA:
20.11