Receptor
PDB id Resolution Class Description Source Keywords
6F71 2.3 Å EC: 2.5.1.18 CRYSTAL STRUCTURE OF GLUTATHIONE TRANSFERASE OMEGA 6S FROM T VERSICOLOR IN COMPLEX WITH NARINGENIN TRAMETES VERSICOLOR GLUTATHIONE FUNGI POLYPHENOLS WOOD DECAYERS TRANSFERASE
Ref.: MOLECULAR RECOGNITION OF WOOD POLYPHENOLS BY PHASE DETOXIFICATION ENZYMES OF THE WHITE ROT TRAMETES VE SCI REP V. 8 8472 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CWE C:300;
B:300;
A:300;
D:300;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
272.253 C15 H12 O5 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6F70 1.48 Å EC: 2.5.1.18 CRYSTAL STRUCTURE OF GLUTATHIONE TRANSFERASE OMEGA 6S FROM T VERSICOLOR TRAMETES VERSICOLOR GLUTATHIONE FUNGI POLYPHENOLS WOOD DECAYERS TRANSFERASE
Ref.: MOLECULAR RECOGNITION OF WOOD POLYPHENOLS BY PHASE DETOXIFICATION ENZYMES OF THE WHITE ROT TRAMETES VE SCI REP V. 8 8472 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 58 families.
1 6F71 - CWE C15 H12 O5 c1cc(ccc1[....
2 6F70 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 6F71 - CWE C15 H12 O5 c1cc(ccc1[....
2 6F70 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 6F69 - CUH C13 H10 O4 c1ccc(cc1)....
2 6F67 - CUQ C13 H10 O3 c1ccc(cc1)....
3 6F51 - CNZ C24 H28 N3 O7 S c1ccc(cc1)....
4 6F68 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 6F6A - GSH C10 H17 N3 O6 S C(CC(=O)N[....
6 6F4F - GDN C16 H19 N5 O10 S c1cc(c(cc1....
7 6F4K - GTX C16 H30 N3 O6 S CCCCCCSC[C....
8 6F66 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
9 6F4B - GSH C10 H17 N3 O6 S C(CC(=O)N[....
10 6F71 - CWE C15 H12 O5 c1cc(ccc1[....
11 6F70 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CWE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 CWE 1 1
2 NAR 1 1
3 SAK 0.65 0.870968
4 6JP 0.609375 0.848485
5 DFV 0.516667 0.928571
6 DFL 0.460317 0.857143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6F70; Ligand: GSH; 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: 6f70.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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