Receptor
PDB id Resolution Class Description Source Keywords
1AXD 2.5 Å EC: 2.5.1.18 STRUCTURE OF GLUTATHIONE S-TRANSFERASE-I BOUND WITH THE LIGA LACTOYLGLUTATHIONE ZEA MAYS TRANSFERASE HERBICIDE DETOXIFICATION TRANSFERASE-TRANSFERAINHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF HERBICIDE-DETOXIFYING MAIZE GL S-TRANSFERASE-I IN COMPLEX WITH LACTOYLGLUTATHIONE: FOR AN INDUCED-FIT MECHANISM. J.MOL.BIOL. V. 274 446 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GGL CYW GLY C:1;
D:1;
Valid;
Valid;
none;
none;
submit data
378.382 n/a S(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AXD 2.5 Å EC: 2.5.1.18 STRUCTURE OF GLUTATHIONE S-TRANSFERASE-I BOUND WITH THE LIGA LACTOYLGLUTATHIONE ZEA MAYS TRANSFERASE HERBICIDE DETOXIFICATION TRANSFERASE-TRANSFERAINHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF HERBICIDE-DETOXIFYING MAIZE GL S-TRANSFERASE-I IN COMPLEX WITH LACTOYLGLUTATHIONE: FOR AN INDUCED-FIT MECHANISM. J.MOL.BIOL. V. 274 446 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 58 families.
1 1AXD - GGL CYW GLY n/a n/a
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 1AXD - GGL CYW GLY n/a n/a
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1AXD - GGL CYW GLY n/a n/a
2 5F06 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
3 6F05 Ki = 34 uM GTS C10 H17 N3 O9 S C(CC(=O)N[....
4 6EZY - GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 6F01 - GTS C10 H17 N3 O9 S C(CC(=O)N[....
6 5F05 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
7 4RI6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 1GNW - GTX C16 H30 N3 O6 S CCCCCCSC[C....
9 5A4W Ka = 0.16 M^-1 QCT C21 H20 O11 C[C@H]1[C@....
10 5A4U Ka = 0.09 M^-1 I3A C9 H7 N O c1ccc2c(c1....
11 5A4V - QUE C15 H10 O7 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GGL CYW GLY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GGL CYW GLY 1 1
2 3LF GSH 0.554217 0.701754
3 GSN 0.445946 0.666667
4 GSH EAA 0.428571 0.661017
5 GTX 0.402439 0.795918
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AXD; Ligand: GGL CYW GLY; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1axd.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4ZB6 GDS 44.4976
Pocket No.: 2; Query (leader) PDB : 1AXD; Ligand: GGL CYW GLY; 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: 1axd.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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