SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3kwk'

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.
1SA1_D_PODD701_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)
3kwk PUTATIVE NADH
DEHYDROGENASE/NAD(P)
H NITROREDUCTASE

(Bacteroides
thetaiotaomicron)
5 / 12 VAL A  81
ALA A 105
LEU A 102
VAL A 144
ALA A 143
None
1.17A 1sa1C-3kwkA:
undetectable
1sa1D-3kwkA:
undetectable
1sa1C-3kwkA:
18.36
1sa1D-3kwkA:
18.47
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.
3ARU_A_PNXA608_1
(CHITINASE A)
3kwk PUTATIVE NADH
DEHYDROGENASE/NAD(P)
H NITROREDUCTASE

(Bacteroides
thetaiotaomicron)
4 / 6 TRP A 121
SER A 126
ALA A 127
ASP A 124
None
1.30A 3aruA-3kwkA:
undetectable
3aruA-3kwkA:
16.09
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.
5N5D_B_SAMB303_0
(METHYLTRANSFERASE)
3kwk PUTATIVE NADH
DEHYDROGENASE/NAD(P)
H NITROREDUCTASE

(Bacteroides
thetaiotaomicron)
5 / 12 LEU A 164
VAL A 157
TYR A 161
ILE A 174
ALA A 129
None
1.12A 5n5dB-3kwkA:
undetectable
5n5dB-3kwkA:
20.42