SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4bz7'

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.
1C3S_A_SHHA952_1
(HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN))		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		8 / 11 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.34A 1c3sA-4bz7A:
42.8		 1c3sA-4bz7A:
27.49
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.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 6 GLN A 281
TYR A 182
ASP A 186
GLY A 190
 None
None
ZN  A 500 (-2.3A)
None
 1.24A 1ekjC-4bz7A:
1.6
1ekjD-4bz7A:
1.7		 1ekjC-4bz7A:
19.87
1ekjD-4bz7A:
19.87
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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 6 ASP A 186
GLY A 190
GLN A 281
TYR A 182
 ZN  A 500 (-2.3A)
None
None
None
 1.20A 1ekjC-4bz7A:
undetectable
1ekjD-4bz7A:
1.8		 1ekjC-4bz7A:
19.87
1ekjD-4bz7A:
19.87
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.
1EKJ_E_ACTE3005_0
(BETA-CARBONIC
ANHYDRASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 7 ASP A 186
HIS A 141
GLY A 338
GLY A 337
 ZN  A 500 (-2.3A)
B3N  A 700 (-3.9A)
None
None
 0.94A 1ekjE-4bz7A:
undetectable
1ekjF-4bz7A:
undetectable		 1ekjE-4bz7A:
19.87
1ekjF-4bz7A:
19.87
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.
1EKJ_G_ACTG3002_0
(BETA-CARBONIC
ANHYDRASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 8 ASP A 186
HIS A 141
GLY A 338
GLY A 337
 ZN  A 500 (-2.3A)
B3N  A 700 (-3.9A)
None
None
 0.92A 1ekjG-4bz7A:
undetectable
1ekjH-4bz7A:
undetectable		 1ekjG-4bz7A:
19.87
1ekjH-4bz7A:
19.87
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.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 7 LEU A 266
LEU A 320
GLY A 318
LEU A 185
 None
 0.88A 1gtiA-4bz7A:
undetectable		 1gtiA-4bz7A:
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.
1H1D_A_SAMA301_0
(CATECHOL-O-METHYLTRA
NSFERASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 ASN A  98
GLY A 150
TYR A  99
GLN A 281
HIS A 142
 None
GOL  A 800 ( 3.5A)
B3N  A 700 ( 3.8A)
None
B3N  A 700 (-3.7A)
 1.47A 1h1dA-4bz7A:
3.0		 1h1dA-4bz7A:
20.27
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.
1HO5_B_ADNB2604_1
(5'-NUCLEOTIDASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 10 GLY A 340
ARG A  24
PHE A  21
GLY A 283
ASP A 186
 None
None
None
None
ZN  A 500 (-2.3A)
 1.49A 1ho5B-4bz7A:
undetectable		 1ho5B-4bz7A:
19.60
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.
1MJL_A_SAMA200_0
(METHIONINE REPRESSOR
PROTEIN METJ)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 HIS A 141
GLU A 195
GLU A 147
ALA A 143
HIS A 142
 B3N  A 700 (-3.9A)
None
GOL  A 801 (-2.8A)
None
B3N  A 700 (-3.7A)
 1.34A 1mjlA-4bz7A:
undetectable
1mjlB-4bz7A:
undetectable		 1mjlA-4bz7A:
15.38
1mjlB-4bz7A:
15.38
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.
1OXR_A_AINA141_1
(PHOSPHOLIPASE A2
ISOFORM 3)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 4 LEU A 349
GLY A 340
ASP A 186
TYR A 319
 None
None
ZN  A 500 (-2.3A)
None
 1.10A 1oxrA-4bz7A:
undetectable		 1oxrA-4bz7A:
13.03
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.
1Q6I_A_FK5A301_1
(FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
FKPA)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 9 LEU A 349
VAL A  28
ILE A  32
TRP A 136
ILE A 358
 None
 1.46A 1q6iA-4bz7A:
undetectable		 1q6iA-4bz7A:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		6 / 12 ASP A 100
PHE A 151
ASP A 186
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 ( 3.6A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.78A 1t69A-4bz7A:
54.9		 1t69A-4bz7A:
38.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 12 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.31A 1t69A-4bz7A:
54.9		 1t69A-4bz7A:
38.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1T69_A_SHHA379_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 TYR A 153
HIS A 141
HIS A 188
ASP A 285
TYR A 341
 None
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.49A 1t69A-4bz7A:
54.9		 1t69A-4bz7A:
38.39
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.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		6 / 12 GLY A 339
ILE A 157
VAL A 280
LEU A 336
GLY A 337
GLY A 338
 B3N  A 700 ( 4.1A)
None
None
None
None
None
 1.24A 1uakA-4bz7A:
undetectable		 1uakA-4bz7A:
23.23
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.
1VID_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 ASN A  98
GLY A 150
TYR A  99
GLN A 281
HIS A 142
 None
GOL  A 800 ( 3.5A)
B3N  A 700 ( 3.8A)
None
B3N  A 700 (-3.7A)
 1.48A 1vidA-4bz7A:
3.7		 1vidA-4bz7A:
20.27
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.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.13A 1zz1A-4bz7A:
40.5		 1zz1A-4bz7A:
22.17
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.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 11 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.58A 1zz1A-4bz7A:
40.5		 1zz1A-4bz7A:
22.17
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.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 HIS A 141
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.11A 1zz1A-4bz7A:
40.5		 1zz1A-4bz7A:
22.17
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.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.07A 1zz1A-4bz7A:
40.5		 1zz1A-4bz7A:
22.17
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.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.16A 1zz1B-4bz7A:
40.8
1zz1C-4bz7A:
40.7		 1zz1B-4bz7A:
22.17
1zz1C-4bz7A:
22.17
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.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 12 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.50A 1zz1B-4bz7A:
40.8
1zz1C-4bz7A:
40.7		 1zz1B-4bz7A:
22.17
1zz1C-4bz7A:
22.17
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.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.08A 1zz1B-4bz7A:
40.8
1zz1C-4bz7A:
40.7		 1zz1B-4bz7A:
22.17
1zz1C-4bz7A:
22.17
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.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.07A 1zz1B-4bz7A:
40.8
1zz1C-4bz7A:
40.7		 1zz1B-4bz7A:
22.17
1zz1C-4bz7A:
22.17
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.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.13A 1zz1C-4bz7A:
40.7		 1zz1C-4bz7A:
22.17
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.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 142
GLY A 150
ASP A 186
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
ZN  A 500 (-2.3A)
None
 0.89A 1zz1C-4bz7A:
40.7		 1zz1C-4bz7A:
22.17
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.
1ZZ1_C_SHHC2652_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 12 HIS A 141
HIS A 142
GLY A 150
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.57A 1zz1C-4bz7A:
40.7		 1zz1C-4bz7A:
22.17
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.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		8 / 9 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.58A 1zz1D-4bz7A:
40.7		 1zz1D-4bz7A:
22.17
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.
1ZZ1_D_SHHD2752_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 9 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.07A 1zz1D-4bz7A:
40.7		 1zz1D-4bz7A:
22.17
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.
2E5D_A_NCAA1501_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 7 ASP A 290
ARG A  24
ASP A 285
TYR A 341
 None
None
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.15A 2e5dA-4bz7A:
undetectable
2e5dB-4bz7A:
undetectable		 2e5dA-4bz7A:
23.23
2e5dB-4bz7A:
23.23
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.
2E5D_B_NCAB1502_0
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 7 ASP A 285
TYR A 341
ASP A 290
ARG A  24
 ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
None
None
 1.21A 2e5dA-4bz7A:
undetectable
2e5dB-4bz7A:
undetectable		 2e5dA-4bz7A:
23.23
2e5dB-4bz7A:
23.23
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.
2KQE_A_ADNA1002_1
(APRATAXIN AND
PNK-LIKE FACTOR)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 5 SER A  17
CYH A  16
TYR A  25
ARG A  12
 None
 1.43A 2kqeA-4bz7A:
undetectable		 2kqeA-4bz7A:
10.90
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.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 292
HIS A 188
GLY A 150
ASP A 285
ASP A 186
 None
ZN  A 500 (-3.1A)
GOL  A 800 ( 3.5A)
ZN  A 500 ( 2.5A)
ZN  A 500 (-2.3A)
 0.91A 2pgrA-4bz7A:
undetectable		 2pgrA-4bz7A:
22.27
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.
3ABM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		3 / 3 HIS A 188
HIS A 142
HIS A 141
 ZN  A 500 (-3.1A)
B3N  A 700 (-3.7A)
B3N  A 700 (-3.9A)
 0.77A 3abmN-4bz7A:
undetectable		 3abmN-4bz7A:
21.97
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.
3BWM_A_SAMA301_0
(CATECHOL
O-METHYLTRANSFERASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 ASN A  98
GLY A 150
TYR A  99
GLN A 281
HIS A 142
 None
GOL  A 800 ( 3.5A)
B3N  A 700 ( 3.8A)
None
B3N  A 700 (-3.7A)
 1.45A 3bwmA-4bz7A:
4.3		 3bwmA-4bz7A:
19.05
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 5 HIS A 141
HIS A 142
ASP A 186
HIS A 188
ASP A 285
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
 0.20A 3c0zA-4bz7A:
39.4		 3c0zA-4bz7A:
25.40
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 8 HIS A 141
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 0.75A 3c0zB-4bz7A:
38.7		 3c0zB-4bz7A:
25.40
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 8 HIS A 141
HIS A 142
ASP A 186
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
None
 0.75A 3c0zB-4bz7A:
38.7		 3c0zB-4bz7A:
25.40
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		8 / 8 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
 0.35A 3c0zB-4bz7A:
38.7		 3c0zB-4bz7A:
25.40
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 8 HIS A 292
PHE A 216
ASP A 285
PHE A 151
ASP A 186
 None
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
 0.98A 3c0zB-4bz7A:
38.7		 3c0zB-4bz7A:
25.40
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 6 HIS A 141
HIS A 142
ASP A 186
HIS A 188
ASP A 285
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
 0.20A 3c0zC-4bz7A:
38.8		 3c0zC-4bz7A:
25.40
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.
3D41_A_FCNA4001_1
(FOMA PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 8 GLY A 339
GLY A 338
GLY A 139
HIS A 141
ILE A 157
 B3N  A 700 ( 4.1A)
None
None
B3N  A 700 (-3.9A)
None
 1.20A 3d41A-4bz7A:
2.2		 3d41A-4bz7A:
23.75
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.
3DOU_A_SAMA1_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 GLY A 283
GLY A 139
GLY A 138
LEU A 187
ALA A 284
 None
 0.92A 3douA-4bz7A:
3.1		 3douA-4bz7A:
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.
3E23_A_SAMA221_1
(UNCHARACTERIZED
PROTEIN RPA2492)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		3 / 3 TYR A 182
ASP A 156
HIS A 142
 None
None
B3N  A 700 (-3.7A)
 0.90A 3e23A-4bz7A:
2.9		 3e23A-4bz7A:
20.54
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.
3N23_C_OBNC1_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 ASP A 156
ASN A 155
LEU A 154
VAL A  59
ALA A  58
 None
 1.16A 3n23C-4bz7A:
undetectable		 3n23C-4bz7A:
17.29
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.
3N8X_A_NIMA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		3 / 3 VAL A 107
SER A 111
LEU A  71
 None
 0.62A 3n8xA-4bz7A:
undetectable		 3n8xA-4bz7A:
21.75
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.
3VRM_A_VD3A502_1
(VITAMIN D(3)
25-HYDROXYLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 PRO A 275
LEU A 164
ILE A 161
ALA A 160
ILE A 326
 None
 0.71A 3vrmA-4bz7A:
undetectable		 3vrmA-4bz7A:
21.41
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.
4BLV_B_SAMB1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 GLY A 137
TYR A  11
GLY A 117
SER A 118
GLY A 283
 None
 0.90A 4blvB-4bz7A:
3.1		 4blvB-4bz7A:
20.13
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.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 8 TYR A  25
VAL A   6
TYR A   7
ILE A 134
 None
 1.11A 4bqtC-4bz7A:
undetectable
4bqtD-4bz7A:
undetectable		 4bqtC-4bz7A:
20.96
4bqtD-4bz7A:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 10 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.28A 4bz6A-4bz7A:
74.6		 4bz6A-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_A_SHHA700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 10 HIS A 141
HIS A 142
ASP A 186
HIS A 188
ASP A 285
PRO A 291
HIS A 292
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
None
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.14A 4bz6A-4bz7A:
74.6		 4bz6A-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.27A 4bz6A-4bz7A:
74.6
4bz6B-4bz7A:
71.5		 4bz6A-4bz7A:
100.00
4bz6B-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		10 / 12 HIS A 141
HIS A 142
ASP A 186
HIS A 188
PHE A 216
ASP A 285
PRO A 291
HIS A 292
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
None
None
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.16A 4bz6A-4bz7A:
74.6
4bz6B-4bz7A:
71.5		 4bz6A-4bz7A:
100.00
4bz6B-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 LYS A  20
HIS A 141
HIS A 142
ASP A 186
GLY A 338
 None
B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
None
 1.28A 4bz6A-4bz7A:
74.6
4bz6B-4bz7A:
71.5		 4bz6A-4bz7A:
100.00
4bz6B-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 12 LYS A  20
HIS A 141
HIS A 142
ASP A 186
HIS A 188
ASP A 285
HIS A 292
GLY A 339
TYR A 341
 None
B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.69A 4bz6A-4bz7A:
74.6
4bz6B-4bz7A:
71.5		 4bz6A-4bz7A:
100.00
4bz6B-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		7 / 12 LYS A  20
HIS A 142
HIS A 188
ASP A 285
HIS A 292
GLY A 339
TYR A 341
 None
B3N  A 700 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.08A 4bz6A-4bz7A:
74.6
4bz6B-4bz7A:
71.5		 4bz6A-4bz7A:
100.00
4bz6B-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		6 / 12 HIS A 141
HIS A 142
ASP A 186
HIS A 188
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
 1.27A 4bz6C-4bz7A:
71.0		 4bz6C-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 142
GLY A 150
ASP A 186
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
ZN  A 500 (-2.3A)
None
 0.84A 4bz6C-4bz7A:
71.0		 4bz6C-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		11 / 12 HIS A 141
HIS A 142
GLY A 150
ASP A 186
HIS A 188
PHE A 216
ASP A 285
PRO A 291
HIS A 292
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
None
None
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.19A 4bz6C-4bz7A:
71.0		 4bz6C-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 12 LYS A  20
HIS A 141
HIS A 142
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 None
B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.91A 4bz6C-4bz7A:
71.0		 4bz6C-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		6 / 12 LYS A  20
HIS A 142
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 None
B3N  A 700 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.25A 4bz6C-4bz7A:
71.0		 4bz6C-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 10 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.26A 4bz6D-4bz7A:
74.9		 4bz6D-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 10 HIS A 141
HIS A 142
ASP A 186
HIS A 188
ASP A 285
PRO A 291
HIS A 292
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
None
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.14A 4bz6D-4bz7A:
74.9		 4bz6D-4bz7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BZ6_D_SHHD700_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		6 / 10 LYS A  20
HIS A 142
HIS A 188
ASP A 285
PRO A 291
HIS A 292
 None
B3N  A 700 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
None
 1.16A 4bz6D-4bz7A:
74.9		 4bz6D-4bz7A:
100.00
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.
4F4D_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 8 ILE A 411
ARG A 410
PRO A 275
VAL A 204
 None
 1.30A 4f4dB-4bz7A:
2.2		 4f4dB-4bz7A:
20.48
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.
4H2G_A_ADNA603_1
(5'-NUCLEOTIDASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 9 GLY A 340
ARG A  24
PHE A  21
GLY A 283
ASP A 186
 None
None
None
None
ZN  A 500 (-2.3A)
 1.44A 4h2gA-4bz7A:
undetectable		 4h2gA-4bz7A:
24.52
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.
4L1A_A_AB1A101_1
(MDR769 HIV-1
PROTEASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 GLY A 283
ALA A 284
ASP A 285
ASP A 290
ILE A 253
 None
None
ZN  A 500 ( 2.5A)
None
None
 1.16A 4l1aA-4bz7A:
undetectable		 4l1aA-4bz7A:
11.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		8 / 12 ASP A 100
HIS A 141
PHE A 151
ASP A 186
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 ( 3.6A)
B3N  A 700 (-3.9A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.65A 4lxzA-4bz7A:
52.3		 4lxzA-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 142
GLY A 150
ASP A 186
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
ZN  A 500 (-2.3A)
None
 0.84A 4lxzA-4bz7A:
52.3		 4lxzA-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 12 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.18A 4lxzA-4bz7A:
52.3		 4lxzA-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.99A 4lxzA-4bz7A:
52.3		 4lxzA-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		8 / 11 ASP A 100
HIS A 141
PHE A 151
ASP A 186
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 ( 3.6A)
B3N  A 700 (-3.9A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.62A 4lxzB-4bz7A:
52.3		 4lxzB-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 ASP A 100
PHE A 151
ASP A 285
HIS A 292
GLY A 339
 B3N  A 700 ( 3.6A)
B3N  A 700 (-4.2A)
ZN  A 500 ( 2.5A)
None
B3N  A 700 ( 4.1A)
 1.30A 4lxzB-4bz7A:
52.3		 4lxzB-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 ASP A 100
PHE A 151
HIS A 292
ASP A 285
GLY A 339
 B3N  A 700 ( 3.6A)
B3N  A 700 (-4.2A)
None
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
 1.38A 4lxzB-4bz7A:
52.3		 4lxzB-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.34A 4lxzB-4bz7A:
52.3		 4lxzB-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		8 / 11 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.16A 4lxzB-4bz7A:
52.3		 4lxzB-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_B_SHHB408_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 HIS A 141
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.02A 4lxzB-4bz7A:
52.3		 4lxzB-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 12 ASP A 100
HIS A 141
GLY A 150
PHE A 151
ASP A 186
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 ( 3.6A)
B3N  A 700 (-3.9A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.65A 4lxzC-4bz7A:
52.8		 4lxzC-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 ASP A 191
GLY A 190
ASP A 285
HIS A 188
GLY A 339
 None
None
ZN  A 500 ( 2.5A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 4.1A)
 1.23A 4lxzC-4bz7A:
52.8		 4lxzC-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 142
GLY A 150
ASP A 186
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
ZN  A 500 (-2.3A)
None
 0.86A 4lxzC-4bz7A:
52.8		 4lxzC-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		10 / 12 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.20A 4lxzC-4bz7A:
52.8		 4lxzC-4bz7A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.28A 4qa0A-4bz7A:
55.7		 4qa0A-4bz7A:
39.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 142
GLY A 150
ASP A 186
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
ZN  A 500 (-2.3A)
None
 0.93A 4qa0A-4bz7A:
55.7		 4qa0A-4bz7A:
39.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		10 / 12 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.30A 4qa0A-4bz7A:
55.7		 4qa0A-4bz7A:
39.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 142
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.96A 4qa0A-4bz7A:
55.7		 4qa0A-4bz7A:
39.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 292
PHE A 216
ASP A 285
PHE A 151
ASP A 186
 None
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
 0.98A 4qa0A-4bz7A:
55.7		 4qa0A-4bz7A:
39.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.27A 4qa0B-4bz7A:
55.2		 4qa0B-4bz7A:
39.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 11 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.28A 4qa0B-4bz7A:
55.2		 4qa0B-4bz7A:
39.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		6 / 11 HIS A 141
HIS A 142
PHE A 151
ASP A 186
PHE A 216
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
B3N  A 700 ( 3.7A)
None
 1.09A 4qa0B-4bz7A:
55.2		 4qa0B-4bz7A:
39.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 HIS A 142
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.97A 4qa0B-4bz7A:
55.2		 4qa0B-4bz7A:
39.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 HIS A 292
PHE A 216
ASP A 285
PHE A 151
ASP A 186
 None
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
 1.01A 4qa0B-4bz7A:
55.2		 4qa0B-4bz7A:
39.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA0_B_SHHB404_2
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 11 TYR A 153
HIS A 141
HIS A 188
ASP A 285
TYR A 341
 None
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.45A 4qa0B-4bz7A:
55.2		 4qa0B-4bz7A:
39.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
HIS A 142
ASP A 186
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 ( 2.5A)
None
 1.27A 4qa2A-4bz7A:
55.0		 4qa2A-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		10 / 12 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.28A 4qa2A-4bz7A:
55.0		 4qa2A-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		7 / 12 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
PHE A 216
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
B3N  A 700 ( 3.7A)
None
 1.08A 4qa2A-4bz7A:
55.0		 4qa2A-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 142
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.97A 4qa2A-4bz7A:
55.0		 4qa2A-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 292
PHE A 216
ASP A 285
PHE A 151
ASP A 186
 None
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
 0.93A 4qa2A-4bz7A:
55.0		 4qa2A-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		6 / 12 HIS A 141
HIS A 142
ASP A 186
HIS A 188
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
 1.25A 4qa2B-4bz7A:
56.2		 4qa2B-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		10 / 12 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.25A 4qa2B-4bz7A:
56.2		 4qa2B-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		7 / 12 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
PHE A 216
GLY A 338
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
B3N  A 700 ( 3.7A)
None
 1.08A 4qa2B-4bz7A:
56.2		 4qa2B-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 142
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.97A 4qa2B-4bz7A:
56.2		 4qa2B-4bz7A:
39.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QA2_B_SHHB404_1
(HISTONE DEACETYLASE
8)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 292
PHE A 216
ASP A 285
PHE A 151
ASP A 186
 None
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
 0.92A 4qa2B-4bz7A:
56.2		 4qa2B-4bz7A:
39.00
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 LEU A  41
GLY A 337
LEU A 336
VAL A 279
VAL A  44
 None
 1.19A 4wnwA-4bz7A:
undetectable		 4wnwA-4bz7A:
20.16
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.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 ASN A  98
GLY A 150
TYR A  99
GLN A 281
HIS A 142
 None
GOL  A 800 ( 3.5A)
B3N  A 700 ( 3.8A)
None
B3N  A 700 (-3.7A)
 1.47A 4xucA-4bz7A:
4.3		 4xucA-4bz7A:
18.75
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.
4ZBQ_A_DIFA602_1
(SERUM ALBUMIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 8 LEU A 249
ASP A 257
ASN A 260
ALA A 261
 None
 0.70A 4zbqA-4bz7A:
undetectable		 4zbqA-4bz7A:
22.39
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 12 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.36A 5eeiA-4bz7A:
40.9		 5eeiA-4bz7A:
26.28
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.09A 5eeiA-4bz7A:
40.9		 5eeiA-4bz7A:
26.28
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 292
PHE A 216
ASP A 285
PHE A 151
ASP A 186
 None
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
 0.92A 5eeiA-4bz7A:
40.9		 5eeiA-4bz7A:
26.28
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.
5EEI_A_SHHA2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 SER A 149
HIS A 141
HIS A 188
ASP A 285
TYR A 341
 GOL  A 800 (-3.7A)
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.11A 5eeiA-4bz7A:
40.9		 5eeiA-4bz7A:
26.28
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 12 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.36A 5eeiB-4bz7A:
40.9		 5eeiB-4bz7A:
26.28
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 292
PHE A 216
ASP A 285
PHE A 151
ASP A 186
 None
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
 0.92A 5eeiB-4bz7A:
40.9		 5eeiB-4bz7A:
26.28
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 SER A 149
HIS A 141
HIS A 188
ASP A 285
TYR A 341
 GOL  A 800 (-3.7A)
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.10A 5eeiB-4bz7A:
40.9		 5eeiB-4bz7A:
26.28
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 141
ASP A 186
HIS A 188
ASP A 285
GLY A 283
 B3N  A 700 (-3.9A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
None
 1.20A 5eenA-4bz7A:
41.1		 5eenA-4bz7A:
26.28
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		9 / 12 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 0.33A 5eenA-4bz7A:
41.1		 5eenA-4bz7A:
26.28
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.10A 5eenA-4bz7A:
41.1		 5eenA-4bz7A:
26.28
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		6 / 12 SER A 149
HIS A 141
HIS A 188
ASP A 285
GLY A 339
TYR A 341
 GOL  A 800 (-3.7A)
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.09A 5eenA-4bz7A:
41.1		 5eenA-4bz7A:
26.28
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.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		6 / 12 SER A 149
HIS A 188
PHE A 216
ASP A 285
GLY A 339
TYR A 341
 GOL  A 800 (-3.7A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 ( 4.1A)
B3N  A 700 (-4.4A)
 1.38A 5eenA-4bz7A:
41.1		 5eenA-4bz7A:
26.28
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		8 / 12 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.33A 5eenB-4bz7A:
41.1		 5eenB-4bz7A:
26.28
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 SER A 149
HIS A 141
HIS A 188
ASP A 285
TYR A 341
 GOL  A 800 (-3.7A)
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.08A 5eenB-4bz7A:
41.1		 5eenB-4bz7A:
26.28
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.
5EEN_B_5OGB804_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 SER A 149
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 GOL  A 800 (-3.7A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.43A 5eenB-4bz7A:
41.1		 5eenB-4bz7A:
26.28
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.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		8 / 12 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.38A 5ef8A-4bz7A:
40.9		 5ef8A-4bz7A:
26.28
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.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.07A 5ef8A-4bz7A:
40.9		 5ef8A-4bz7A:
26.28
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.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 SER A 149
HIS A 141
HIS A 188
ASP A 285
TYR A 341
 GOL  A 800 (-3.7A)
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.10A 5ef8A-4bz7A:
40.9		 5ef8A-4bz7A:
26.28
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.
5EF8_A_LBHA2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 SER A 149
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 GOL  A 800 (-3.7A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.35A 5ef8A-4bz7A:
40.9		 5ef8A-4bz7A:
26.28
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.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		8 / 12 HIS A 141
HIS A 142
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.33A 5ef8B-4bz7A:
41.1		 5ef8B-4bz7A:
26.28
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.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.11A 5ef8B-4bz7A:
41.1		 5ef8B-4bz7A:
26.28
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.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 SER A 149
HIS A 141
HIS A 188
ASP A 285
TYR A 341
 GOL  A 800 (-3.7A)
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.08A 5ef8B-4bz7A:
41.1		 5ef8B-4bz7A:
26.28
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.
5EF8_B_LBHB2004_1
(HDAC6 PROTEIN)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 SER A 149
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 GOL  A 800 (-3.7A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.42A 5ef8B-4bz7A:
41.1		 5ef8B-4bz7A:
26.28
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.
5FHR_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 ASN A  98
GLY A 150
TYR A  99
GLN A 281
HIS A 142
 None
GOL  A 800 ( 3.5A)
B3N  A 700 ( 3.8A)
None
B3N  A 700 (-3.7A)
 1.50A 5fhrA-4bz7A:
4.5		 5fhrA-4bz7A:
19.87
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 5 HIS A 142
LEU A  97
TYR A 110
PHE A  21
 B3N  A 700 (-3.7A)
None
None
None
 1.46A 5igjA-4bz7A:
undetectable		 5igjA-4bz7A:
20.66
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.
5NCD_D_ACTD301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 4 ASP A 191
HIS A 142
HIS A 141
HIS A 189
 None
B3N  A 700 (-3.7A)
B3N  A 700 (-3.9A)
GOL  A 802 (-4.1A)
 1.48A 5ncdD-4bz7A:
undetectable		 5ncdD-4bz7A:
20.45
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.
5VLM_H_CVIH301_0
(REGULATORY PROTEIN
TETR)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 ALA A 160
SER A 123
LEU A  47
TYR A  25
VAL A 133
 None
 1.27A 5vlmH-4bz7A:
undetectable		 5vlmH-4bz7A:
18.34
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_0
(CARNOSINE
N-METHYLTRANSFERASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		5 / 12 GLY A 318
ASN A 299
SER A 315
CYH A 286
PHE A 295
 None
 0.98A 5yf0A-4bz7A:
4.8		 5yf0A-4bz7A:
20.58
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.
6AG0_A_ACRA605_0
(ALPHA-AMYLASE)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 8 GLY A 192
ASP A 184
ASP A 186
HIS A 209
 None
K  A 600 (-3.3A)
ZN  A 500 (-2.3A)
None
 0.92A 6ag0A-4bz7A:
undetectable		 6ag0A-4bz7A:
12.37
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.
6GNE_B_ACRB602_2
(-)		 4bz7 HISTONE DEACETYLASE
8
(Schistosoma
mansoni) 		4 / 8 VAL A 107
TYR A 153
ASN A  98
GLU A  89
 None
 1.24A 6gneB-4bz7A:
2.7		 6gneB-4bz7A:
22.28