SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4i04'

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)		 4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 5 VAL A 279
TRP A 286
VAL A 305
TRP A 277
 EDO  A 402 (-4.1A)
None
None
None
 1.27A 1al4A-4i04A:
undetectable
1al4B-4i04A:
undetectable		 1al4A-4i04A:
4.83
1al4B-4i04A:
4.83
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)		 4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 5 VAL A 279
TRP A 286
VAL A 305
TRP A 277
 EDO  A 402 (-4.1A)
None
None
None
 1.26A 1alzA-4i04A:
undetectable
1alzB-4i04A:
undetectable		 1alzA-4i04A:
4.44
1alzB-4i04A:
4.83
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.
1FXH_B_PACB1001_0
(PENICILLIN ACYLASE)		 4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 7 SER A  99
PHE A 175
SER A 132
ALA A 127
 None
 1.00A 1fxhA-4i04A:
undetectable
1fxhB-4i04A:
undetectable		 1fxhA-4i04A:
19.38
1fxhB-4i04A:
18.84
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.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		 4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		6 / 10 GLN A  94
GLY A  98
SER A  99
TRP A 101
PHE A 103
GLY A  47
 None
 0.81A 1stfE-4i04A:
25.9
1stfI-4i04A:
undetectable		 1stfE-4i04A:
23.93
1stfI-4i04A:
14.19
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))		 4i04 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
 None
 0.44A 1stfE-4i04A:
25.9
1stfI-4i04A:
undetectable		 1stfE-4i04A:
23.93
1stfI-4i04A:
14.19
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)		 4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 8 GLY A 244
HIS A 270
ILE A 145
GLU A 242
 None
 0.93A 2x0pA-4i04A:
undetectable		 2x0pA-4i04A:
19.73
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)		 4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 7 GLN A  94
GLY A  98
HIS A 270
TRP A 292
 None
 0.30A 3ai8A-4i04A:
38.8		 3ai8A-4i04A:
47.62
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)		 4i04 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-4i04A:
undetectable		 4d33A-4i04A:
19.47
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.
4D33_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 7 SER A 315
GLU A 310
ILE A 313
ASN A 226
 None
 1.12A 4d33B-4i04A:
undetectable		 4d33B-4i04A:
19.47
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.
4FGJ_A_1PQA303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		5 / 9 TRP A 292
GLY A 244
PHE A 302
ILE A 304
PHE A 251
 None
 1.41A 4fgjA-4i04A:
undetectable
4fgjB-4i04A:
undetectable		 4fgjA-4i04A:
20.06
4fgjB-4i04A:
20.06
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)		 4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		3 / 3 ASP A 250
HIS A 261
LYS A 260
 None
 0.98A 4qzuD-4i04A:
undetectable		 4qzuD-4i04A:
14.86
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.
5LBT_A_6T0A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4i04 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
 1.38A 5lbtA-4i04A:
undetectable
5lbtB-4i04A:
undetectable		 5lbtA-4i04A:
20.71
5lbtB-4i04A:
20.71
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)		 4i04 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
 1.05A 5vooB-4i04A:
undetectable		 5vooB-4i04A:
20.46
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)		 4i04 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
 1.13A 5vooD-4i04A:
undetectable		 5vooD-4i04A:
20.46
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)		 4i04 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
 1.11A 5vooE-4i04A:
undetectable		 5vooE-4i04A:
20.46
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.
5X7P_B_ACRB1471_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		5 / 12 ARG A  49
ASP A 151
GLY A 147
GLU A 316
ARG A  60
 None
 1.20A 5x7pB-4i04A:
undetectable		 5x7pB-4i04A:
13.20
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.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)
(Schistosoma
mansoni) 		4 / 5 ARG A  56
ARG A  59
GLY A 147
ASP A 151
 None
 1.28A 6dwjB-4i04A:
undetectable
6dwjD-4i04A:
undetectable		 6dwjB-4i04A:
20.92
6dwjD-4i04A:
20.92