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 60 families.
1 1AXD - GGL CYW GLY n/a n/a
70% Homology Family (3)
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
2 6RIV - GS8 C10 H17 N3 O7 S C(CC(=O)N[....
3 6ZB6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 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 6RIV - GS8 C10 H17 N3 O7 S C(CC(=O)N[....
7 5F05 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
8 4RI6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
9 1GNW - GTX C16 H30 N3 O6 S CCCCCCSC[C....
10 5A4W Ka = 0.16 M^-1 QCT C21 H20 O11 C[C@H]1[C@....
11 5A4U Ka = 0.09 M^-1 I3A C9 H7 N O c1ccc2c(c1....
12 5A4V - QUE C15 H10 O7 c1cc(c(cc1....
13 6ZB6 - GSH C10 H17 N3 O6 S C(CC(=O)N[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GGL CYW GLY; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 GGL CYW GLY 1 1
2 GSH GSH 0.672131 0.75
3 3LF GSH 0.554217 0.701754
4 GSN 0.445946 0.666667
5 GSH EAA 0.428571 0.661017
6 GTX 0.402439 0.795918
Similar Ligands (3D)
Ligand no: 1; Ligand: GGL CYW GLY; Similar ligands found: 2
No: Ligand Similarity coefficient
1 GTS 0.9541
2 GSH 0.8570
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: 3
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
2 4ZB6 GDS 44.4976
3 4ZB6 GDS 44.4976
Pocket No.: 2; Query (leader) PDB : 1AXD; Ligand: GGL CYW GLY; Similar sites found with APoc: 11
This union binding pocket(no: 2) in the query (biounit: 1axd.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4F0B GDS 39.2345
2 4F0B GDS 39.2345
3 3WYW GSH 39.7129
4 3WYW GSH 39.7129
5 4ZBA GDS 43.5407
6 4ZBA GDS 43.5407
7 4ZBA GDS 43.5407
8 4ZB6 GDS 44.4976
9 4ZB6 GDS 44.4976
10 4ZB6 GDS 44.4976
11 4ZB6 GDS 44.4976
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