SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'BD3'


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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		 3hwn CATHEPSIN L1
(Homo
sapiens) 		7 / 10 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 163
 BD3  A 221 (-3.4A)
BD3  A 221 ( 3.9A)
None
None
None
None
BD3  A 221 (-4.6A)
 0.32A 1stfE-3hwnA:
34.1
1stfI-3hwnA:
undetectable		 1stfE-3hwnA:
34.22
1stfI-3hwnA:
17.58
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.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 3hwn CATHEPSIN L1
(Homo
sapiens) 		4 / 7 GLN A  19
GLY A  23
HIS A 163
TRP A 189
 BD3  A 221 (-3.4A)
BD3  A 221 ( 3.9A)
BD3  A 221 (-4.6A)
None
 0.32A 3ai8A-3hwnA:
27.8		 3ai8A-3hwnA:
27.87
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.
4QC6_B_KANB201_2
(BIFUNCTIONAL AAC/APH)		 3hwn CATHEPSIN L1
(Homo
sapiens) 		3 / 3 LEU A  69
ASP A  71
TYR A  72
 BD3  A 221 (-3.7A)
BD3  A 221 (-2.7A)
BD3  A 221 (-4.8A)
 0.55A 4qc6B-3hwnA:
undetectable		 4qc6B-3hwnA:
20.31