SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2wqk'

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.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2wqk 5'-NUCLEOTIDASE SURE
(Aquifex
aeolicus) 		5 / 12 PHE A 135
ALA A  23
ALA A 127
PRO A  15
GLY A  92
 None
 1.30A 2igtC-2wqkA:
3.0		 2igtC-2wqkA:
21.11
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.
3CV9_A_VDXA501_1
(CYTOCHROME P450-SU1)		 2wqk 5'-NUCLEOTIDASE SURE
(Aquifex
aeolicus) 		5 / 9 VAL A  73
LEU A 118
ILE A 117
ILE A 123
GLY A  92
 None
 1.27A 3cv9A-2wqkA:
undetectable		 3cv9A-2wqkA:
21.07
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 2wqk 5'-NUCLEOTIDASE SURE
(Aquifex
aeolicus) 		3 / 3 SER A 106
GLY A 107
THR A 108
 SO4  A 252 (-2.8A)
SO4  A 252 (-3.8A)
SO4  A 252 (-3.7A)
 0.09A 3k9wA-2wqkA:
2.7		 3k9wA-2wqkA:
20.78
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.
4JEC_B_478B401_3
(HIV-1 PROTEASE)		 2wqk 5'-NUCLEOTIDASE SURE
(Aquifex
aeolicus) 		3 / 3 ASP A  87
LEU A  90
VAL A  33
 None
 0.70A 4jecB-2wqkA:
undetectable		 4jecB-2wqkA:
16.87
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.
4XK8_A_PQNA845_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 2wqk 5'-NUCLEOTIDASE SURE
(Aquifex
aeolicus) 		4 / 8 PHE A 125
ALA A  19
LEU A  20
GLY A  92
 None
 0.96A 4xk8a-2wqkA:
undetectable		 4xk8a-2wqkA:
15.26
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.
5X6Y_A_SAMA902_1
(MRNA CAPPING ENZYME
P5)		 2wqk 5'-NUCLEOTIDASE SURE
(Aquifex
aeolicus) 		3 / 3 TYR A  62
ASP A  58
ASP A  60
 None
 0.83A 5x6yA-2wqkA:
2.4		 5x6yA-2wqkA:
15.35
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.
6FGD_A_ACTA824_0
(GEPHYRIN)		 2wqk 5'-NUCLEOTIDASE SURE
(Aquifex
aeolicus) 		4 / 4 LEU A  39
ASP A  36
PRO A  35
ARG A  37
 None
 1.28A 6fgdA-2wqkA:
4.4		 6fgdA-2wqkA:
20.56