Receptor
PDB id Resolution Class Description Source Keywords
1R5A 2.5 Å EC: 2.5.1.18 GLUTATHIONE S-TRANSFERASE ANOPHELES CRACENS GLUTATHIONE S-TRANSFERASE GST GLUTATHIONE GSH MOSQUITO DETOXIFICATION XENOBIOTICS
Ref.: IDENTIFICATION, CHARACTERIZATION AND STRUCTURE OF A NEW 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
CU A:1001;
A:1002;
A:1003;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
63.546 Cu [Cu+2...
GTS A:1004;
Valid;
none;
submit data
355.322 C10 H17 N3 O9 S C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1R5A 2.5 Å EC: 2.5.1.18 GLUTATHIONE S-TRANSFERASE ANOPHELES CRACENS GLUTATHIONE S-TRANSFERASE GST GLUTATHIONE GSH MOSQUITO DETOXIFICATION XENOBIOTICS
Ref.: IDENTIFICATION, CHARACTERIZATION AND STRUCTURE OF A NEW 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 1R5A - 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 1R5A - 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 : 1R5A; 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: 1) in the query (biounit: 1r5a.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1R5A; 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: 2) in the query (biounit: 1r5a.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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