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Receptor
PDB id Resolution Class Description Source Keywords
1V2A 2.15 Å EC: 2.5.1.18 GLUTATHIONE S-TRANSFERASE 1-6 FROM ANOPHELES DIRUS SPECIES B ANOPHELES DIRUS GLUTATHIONE S-TRANSFERASE DETOXIFICATION GLUTATHIONE XENOTRANSFERASE
Ref.: IDENTIFICATION, CHARACTERIZATION AND STRUCTURE OF A DELTA CLASS GLUTATHIONE TRANSFERASE ISOENZYME. BIOCHEM.J. V. 388 763 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GTS A:1001;
B:2001;
C:3001;
D:4001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
355.322 C10 H17 N3 O9 S C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1V2A 2.15 Å EC: 2.5.1.18 GLUTATHIONE S-TRANSFERASE 1-6 FROM ANOPHELES DIRUS SPECIES B ANOPHELES DIRUS GLUTATHIONE S-TRANSFERASE DETOXIFICATION GLUTATHIONE XENOTRANSFERASE
Ref.: IDENTIFICATION, CHARACTERIZATION AND STRUCTURE OF A DELTA CLASS GLUTATHIONE TRANSFERASE ISOENZYME. BIOCHEM.J. V. 388 763 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 58 families.
1 1V2A - GTS C10 H17 N3 O9 S C(CC(=O)N[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 1V2A - GTS C10 H17 N3 O9 S C(CC(=O)N[....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3VWX - GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 2IMK - GTX C16 H30 N3 O6 S CCCCCCSC[C....
3 3ZMK - GSH C10 H17 N3 O6 S C(CC(=O)N[....
4 4GSN - GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 3ZML - GSH C10 H17 N3 O6 S C(CC(=O)N[....
6 2IMI - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 4PNF - GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 4YH2 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
9 1V2A - GTS C10 H17 N3 O9 S C(CC(=O)N[....
10 1JLV - GSH C10 H17 N3 O6 S C(CC(=O)N[....
11 3WYW - GSH C10 H17 N3 O6 S C(CC(=O)N[....
12 1PN9 - GTX C16 H30 N3 O6 S CCCCCCSC[C....
13 4PNG - GSF C10 H17 N3 O8 S C(CC(=O)N[....
14 1R5A - GTS C10 H17 N3 O9 S C(CC(=O)N[....
15 3G7J - GTX C16 H30 N3 O6 S CCCCCCSC[C....
16 3F6D - GTX C16 H30 N3 O6 S CCCCCCSC[C....
17 3F63 - GTX C16 H30 N3 O6 S CCCCCCSC[C....
18 5ZWP - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GTS; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 GTS 1 1
2 GSH 0.672727 0.660714
3 GDS 0.627119 0.661017
4 GS8 0.627119 0.785714
5 GSF 0.616667 0.910714
6 GSM 0.616667 0.6
7 AHE 0.606557 0.610169
8 HGD 0.596774 0.661017
9 TGG 0.575758 0.637931
10 GSB 0.541667 0.6
11 HGS 0.516129 0.684211
12 HCG 0.507937 0.649123
13 3GC 0.482143 0.607143
14 GVX 0.46988 0.612903
15 TS5 0.441558 0.606557
16 GCG 0.44 0.622951
17 TS4 0.425 0.645161
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1V2A; Ligand: GTS; Similar sites found with APoc: 69
This union binding pocket(no: 1) in the query (biounit: 1v2a.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3L4N GSH None
2 5J3R GSH None
3 1YKI NFZ 0.952381
4 5LAU AR6 0.961538
5 3W6C NAG NAG 2.18579
6 3ISO GSH 2.38095
7 2RIF AMP 2.83688
8 1LVK MNT BEF 2.85714
9 3ORK AGS 2.85714
10 1RPN NDP 2.85714
11 2X3F APC 3.33333
12 1PZG A3D 3.33333
13 4PIO SAH 3.33333
14 4PIO AVI 3.33333
15 1EWF PC1 3.80952
16 1XRO LEU 3.80952
17 5YWX 93C 4.0404
18 5YWX GSH 4.0404
19 2BGS NDP 4.28571
20 3COW 52H 4.31894
21 2WCI GSH 5.18518
22 3OZG SSI 5.2381
23 3JRS A8S 5.76923
24 5H5L GSH 5.94059
25 1RM0 NAI 6.19048
26 3W0O ADP 6.19048
27 3W0O HY0 6.19048
28 2VVT I24 6.19048
29 5XNC MTA 6.19048
30 3K87 FAD 6.48649
31 1V35 NAI 7.14286
32 4DQL FAD 7.61905
33 6HTO MET 9.04762
34 6HTO 5AD 9.04762
35 4G19 GSH 9.52381
36 4AGS GSH 10
37 2WUL GSH 10.1695
38 2JAC GSH 10.9091
39 4U63 FAD 10.9524
40 5KQA GSH 11.3636
41 6GCB GSH 13.3333
42 4CQM NAP 13.8095
43 1PD2 GSH 14.5729
44 3N5O GSH 17.1429
45 3RHC GSH 19.469
46 1K0D GSH 19.5238
47 4TR1 GSH 21.7391
48 3WD6 GSH 23.8095
49 6F68 GSH 24.7619
50 6F68 4EU 24.7619
51 5GZZ GSH 26.1905
52 4ZBA GDS 26.6667
53 4ZB6 GDS 29.0476
54 3W8S GSH 30.0971
55 5F05 GSH 30.4762
56 3RC1 NAP 31.4286
57 5F06 GSH 31.9048
58 2ON5 GSH 32.0388
59 3GX0 GDS 32.8571
60 5UUO GSH 32.8571
61 4F0B GDS 34.7619
62 2V6K TGG 34.7619
63 4G10 GSH 35.7143
64 4ZB8 GDS 36.1905
65 4XT0 GSH 37.619
66 2YCD GTB 38.0952
67 3C8E GSH 40.9524
68 5FHI GSH 41.9048
69 5ECP GSH 43.3333
Pocket No.: 2; Query (leader) PDB : 1V2A; Ligand: GTS; Similar sites found with APoc: 18
This union binding pocket(no: 2) in the query (biounit: 1v2a.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3JSX CC2 2.85714
2 6FFL GLC GLC GLC 2.85714
3 3JSX FAD 2.85714
4 1KOL NAD 3.33333
5 1SOW NAD 3.33333
6 3HIW C2X 3.33333
7 5DHU 5A8 3.80952
8 1WVG APR 4.28571
9 5ZCT ANP 4.7619
10 2D1S SLU 5.71429
11 4PLG OXM 6.19048
12 4PLG NAI 6.19048
13 2NSX IFM 6.66667
14 1NV8 SAM 7.61905
15 5YU3 NAD 8.09524
16 5YU3 PRO 8.09524
17 3GDH SAH 10.4762
18 2QRD ATP 23.8095
Pocket No.: 3; Query (leader) PDB : 1V2A; Ligand: GTS; Similar sites found with APoc: 6
This union binding pocket(no: 3) in the query (biounit: 1v2a.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2HJR APR None
2 2C5A NAD 2.85714
3 2C5A GDC 2.85714
4 4RSL FAD 3.33333
5 1RX0 FAD 5.2381
6 3T31 FAD 5.71429
Pocket No.: 4; Query (leader) PDB : 1V2A; Ligand: GTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1v2a.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1V2A; Ligand: GTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1v2a.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1V2A; Ligand: GTS; Similar sites found with APoc: 6
This union binding pocket(no: 6) in the query (biounit: 1v2a.bio3) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1SUW NAP 2.38095
2 6ECU SAH 2.85714
3 3EUT DCR 4.28571
4 2GJ5 VD3 4.93827
5 5OJ7 AR6 6.19048
6 3S2Y FMN 6.53266
Pocket No.: 7; Query (leader) PDB : 1V2A; Ligand: GTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 1v2a.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1V2A; Ligand: GTS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 1v2a.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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