SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3s3r'

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.
1ALZ_A_DVAA8_0
(ILE-GRAMICIDIN C
VAL-GRAMICIDIN A)		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 5 VAL A 279
TRP A 286
VAL A 305
TRP A 277
 None
 1.29A 1alzA-3s3rA:
undetectable
1alzB-3s3rA:
undetectable		 1alzA-3s3rA:
4.91
1alzB-3s3rA:
5.26
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.
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)		 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
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.
4D33_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 8 SER A 315
GLU A 310
ILE A 313
ASN A 226
 None
 1.10A 4d33A-3s3rA:
undetectable		 4d33A-3s3rA:
19.73
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.
4D33_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 7 SER A 315
GLU A 310
ILE A 313
ASN A 226
 None
 1.11A 4d33B-3s3rA:
undetectable		 4d33B-3s3rA:
19.73
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.
4GC9_A_ACTA402_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		3 / 3 LYS A 192
TYR A 194
ARG A  96
 None
 1.42A 4gc9A-3s3rA:
undetectable		 4gc9A-3s3rA:
21.85
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.
4QZU_D_ACTD201_0
(RETINOL-BINDING
PROTEIN 2)		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		3 / 3 ASP A 250
HIS A 261
LYS A 260
 None
 0.97A 4qzuD-3s3rA:
undetectable		 4qzuD-3s3rA:
20.09
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.
5KIR_A_RCXA601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		3 / 3 ARG A 303
ILE A 288
PHE A 302
 None
 0.76A 5kirA-3s3rA:
undetectable		 5kirA-3s3rA:
18.51
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.
5KPC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		5 / 12 GLY A 140
VAL A 128
ALA A 127
LEU A 130
ALA A 105
 None
 0.75A 5kpcA-3s3rA:
undetectable		 5kpcA-3s3rA:
18.64
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.
5Y9Y_A_ACTA409_0
(UNCHARACTERIZED
PROTEIN KDOO)		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		3 / 3 LYS A 177
PRO A 176
LYS A 164
 None
 1.15A 5y9yA-3s3rA:
undetectable		 5y9yA-3s3rA:
18.54
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.
5YF0_A_SAMA505_1
(CARNOSINE
N-METHYLTRANSFERASE)		 3s3r CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 5 GLN A 116
ARG A 321
TYR A 222
ASP A  77
 None
 1.44A 5yf0A-3s3rA:
0.0		 5yf0A-3s3rA:
20.85