SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '0IW'


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))		 1fh0 CATHEPSIN V
(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
 0IW  A1280 (-2.9A)
0IW  A1280 (-3.6A)
None
0IW  A1280 (-4.9A)
None
None
0IW  A1280 (-4.0A)
 0.33A 1stfE-1fh0A:
33.9
1stfI-1fh0A:
0.8		 1stfE-1fh0A:
43.11
1stfI-1fh0A:
19.18
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.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		7 / 10 GLN A  94
GLY A  98
SER A  99
TRP A 101
PHE A 103
HIS A 270
ALA A 271
 0IW  A 324 (-3.0A)
0IW  A 324 (-3.6A)
None
None
None
0IW  A 324 (-3.7A)
0IW  A 324 ( 4.3A)
 0.47A 1stfE-3s3rA:
26.8
1stfI-3s3rA:
undetectable		 1stfE-3s3rA:
28.91
1stfI-3s3rA:
16.67
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 6 PHE A 251
TRP A 292
GLY A 269
GLY A 268
 None
0IW  A 324 (-4.5A)
0IW  A 324 (-3.7A)
None
 1.02A 2qr2A-3s3rA:
undetectable
2qr2B-3s3rA:
undetectable		 2qr2A-3s3rA:
21.45
2qr2B-3s3rA:
21.45
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.
2QR2_B_VK3B236_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 5 TRP A 292
GLY A 269
GLY A 268
PHE A 251
 0IW  A 324 (-4.5A)
0IW  A 324 (-3.7A)
None
None
 1.03A 2qr2A-3s3rA:
undetectable
2qr2B-3s3rA:
undetectable		 2qr2A-3s3rA:
21.45
2qr2B-3s3rA:
21.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 1fh0 CATHEPSIN V
(Homo
sapiens) 		4 / 7 GLN A  19
GLY A  23
HIS A 163
TRP A 189
 0IW  A1280 (-2.9A)
0IW  A1280 (-3.6A)
0IW  A1280 (-4.0A)
0IW  A1280 (-4.0A)
 0.43A 3ai8A-1fh0A:
17.3		 3ai8A-1fh0A:
31.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		6 / 7 GLN A  94
GLY A  98
HIS A 180
HIS A 181
HIS A 270
TRP A 292
 0IW  A 324 (-3.0A)
0IW  A 324 (-3.6A)
None
None
0IW  A 324 (-3.7A)
0IW  A 324 (-4.5A)
 0.48A 3ai8A-3s3rA:
15.8		 3ai8A-3s3rA:
57.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AI8_B_HNQB255_1
(CATHEPSIN B)		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		5 / 6 GLN A  94
GLY A  98
HIS A 180
HIS A 181
TRP A 292
 0IW  A 324 (-3.0A)
0IW  A 324 (-3.6A)
None
None
0IW  A 324 (-4.5A)
 0.37A 3ai8B-3s3rA:
15.7		 3ai8B-3s3rA:
57.59