SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4i05'

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.
1AL4_A_DVAA8_0
(GRAMICIDIN D)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 5 VAL A 279
TRP A 286
VAL A 305
TRP A 277
 None
 1.37A 1al4A-4i05A:
undetectable
1al4B-4i05A:
undetectable		 1al4A-4i05A:
5.10
1al4B-4i05A:
5.10
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)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 5 VAL A 279
TRP A 286
VAL A 305
TRP A 277
 None
 1.35A 1alzA-4i05A:
undetectable
1alzB-4i05A:
undetectable		 1alzA-4i05A:
5.10
1alzB-4i05A:
5.10
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))		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		8 / 10 GLN A  94
GLY A  98
SER A  99
TRP A 101
PHE A 103
HIS A 270
ALA A 271
GLY A  47
 CSO  A 100 ( 3.5A)
CSO  A 100 ( 3.9A)
CSO  A 100 ( 3.8A)
None
None
CSO  A 100 ( 4.2A)
CSO  A 100 ( 3.8A)
CSO  A 100 ( 3.6A)
 0.38A 1stfE-4i05A:
26.3
1stfI-4i05A:
undetectable		 1stfE-4i05A:
26.41
1stfI-4i05A:
15.47
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.
2QR2_B_VK3B235_1
(PROTEIN (QUINONE
REDUCTASE TYPE 2))		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 6 PHE A 251
TRP A 292
GLY A 269
GLY A 268
 None
 0.99A 2qr2A-4i05A:
undetectable
2qr2B-4i05A:
undetectable		 2qr2A-4i05A:
19.80
2qr2B-4i05A:
19.80
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))		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 5 TRP A 292
GLY A 269
GLY A 268
PHE A 251
 None
 1.01A 2qr2A-4i05A:
undetectable
2qr2B-4i05A:
undetectable		 2qr2A-4i05A:
19.80
2qr2B-4i05A:
19.80
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.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 8 GLY A 244
HIS A 270
ILE A 145
GLU A 242
 None
CSO  A 100 ( 4.2A)
None
CSO  A 100 ( 4.8A)
 0.93A 2x0pA-4i05A:
undetectable		 2x0pA-4i05A:
18.49
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)		 4i05 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
 CSO  A 100 ( 3.5A)
CSO  A 100 ( 3.9A)
None
None
CSO  A 100 ( 4.2A)
None
 0.39A 3ai8A-4i05A:
18.8		 3ai8A-4i05A:
52.08
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)		 4i05 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
 CSO  A 100 ( 3.5A)
CSO  A 100 ( 3.9A)
None
None
None
 0.24A 3ai8B-4i05A:
42.3		 3ai8B-4i05A:
52.08
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)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 8 SER A 315
GLU A 310
ILE A 313
ASN A 226
 None
 0.95A 4d33A-4i05A:
undetectable		 4d33A-4i05A:
19.03
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)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 7 SER A 315
GLU A 310
ILE A 313
ASN A 226
 None
 1.01A 4d33B-4i05A:
undetectable		 4d33B-4i05A:
19.03
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.
4D39_A_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4i05 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 4d39A-4i05A:
undetectable		 4d39A-4i05A:
19.03
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.
4EJW_A_SRYA2001_2
(TRANSCRIPTIONAL
REGULATOR TCAR)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 6 GLU A 142
ILE A 193
HIS A 181
VAL A 247
 None
 1.05A 4ejwB-4i05A:
undetectable		 4ejwB-4i05A:
20.86
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)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		3 / 3 ASP A 250
HIS A 261
LYS A 260
 None
 0.97A 4qzuD-4i05A:
undetectable		 4qzuD-4i05A:
16.84
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.
4Z4C_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 6 TYR A 186
LYS A 177
PRO A 176
GLU A 165
 None
 1.13A 4z4cA-4i05A:
undetectable		 4z4cA-4i05A:
15.84
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.
4Z4G_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 6 TYR A 186
LYS A 177
PRO A 176
GLU A 165
 None
 1.09A 4z4gA-4i05A:
undetectable		 4z4gA-4i05A:
15.84
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.
5JSD_B_1GNB603_1
(PHIAB6 TAILSPIKE)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		3 / 3 VAL A 279
GLU A 314
GLU A 228
 None
 0.93A 5jsdB-4i05A:
undetectable
5jsdC-4i05A:
undetectable		 5jsdB-4i05A:
17.09
5jsdC-4i05A:
17.09
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		5 / 10 PHE A 302
ILE A 313
PHE A 251
TRP A 296
GLY A 269
 None
 1.50A 5lbtA-4i05A:
undetectable
5lbtB-4i05A:
undetectable		 5lbtA-4i05A:
21.17
5lbtB-4i05A:
21.17
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.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		5 / 12 LYS A 233
LEU A 125
GLY A 218
SER A 220
ILE A 322
 None
 1.07A 5vooB-4i05A:
undetectable		 5vooB-4i05A:
19.46
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.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		5 / 12 LYS A 233
LEU A 125
GLY A 218
SER A 220
ILE A 322
 None
 1.16A 5vooD-4i05A:
undetectable		 5vooD-4i05A:
19.46
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.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		5 / 12 LYS A 233
LEU A 125
GLY A 218
SER A 220
ILE A 322
 None
 1.10A 5vooE-4i05A:
undetectable		 5vooE-4i05A:
19.46