Receptor
PDB id Resolution Class Description Source Keywords
1YZX 1.93 Å EC: 2.5.1.18 CRYSTAL STRUCTURE OF HUMAN KAPPA CLASS GLUTATHIONE TRANSFERA HOMO SAPIENS TRANSFERASE GLUTATHIONE SULFINATE PEROXIDASE
Ref.: THIOREDOXIN-LIKE DOMAIN OF HUMAN KAPPA CLASS GLUTAT TRANSFERASE REVEALS SEQUENCE HOMOLOGY AND STRUCTURE SIMILARITY TO THE THETA CLASS ENZYME PROTEIN SCI. V. 14 2361 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GSF A:301;
B:1301;
 Valid;
Valid;
 none;
none;
 submit data
339.322 C10 H17 N3 O8 S C(CC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YZX 1.93 Å EC: 2.5.1.18 CRYSTAL STRUCTURE OF HUMAN KAPPA CLASS GLUTATHIONE TRANSFERA HOMO SAPIENS TRANSFERASE GLUTATHIONE SULFINATE PEROXIDASE
Ref.: THIOREDOXIN-LIKE DOMAIN OF HUMAN KAPPA CLASS GLUTAT TRANSFERASE REVEALS SEQUENCE HOMOLOGY AND STRUCTURE SIMILARITY TO THE THETA CLASS ENZYME PROTEIN SCI. V. 14 2361 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 1YZX - GSF C10 H17 N3 O8 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 1R4W Kd = 90 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 1YZX - GSF C10 H17 N3 O8 S C(CC(=O)N[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1R4W Kd = 90 uM GSH C10 H17 N3 O6 S C(CC(=O)N[....
2 1YZX - GSF C10 H17 N3 O8 S C(CC(=O)N[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GSF; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 GSF 1 1
2 GSH 0.660714 0.72549
3 GS8 0.616667 0.862745
4 GDS 0.616667 0.722222
5 GTS 0.616667 0.910714
6 GSM 0.606557 0.654545
7 AHE 0.596774 0.666667
8 HGD 0.587302 0.722222
9 TGG 0.544118 0.698113
10 GSB 0.534247 0.654545
11 BWS 0.533333 0.641509
12 0HH 0.513514 0.6
13 HGS 0.507937 0.75
14 HCG 0.5 0.711538
15 GSO 0.486842 0.642857
16 GBI 0.475 0.6
17 3GC 0.473684 0.666667
18 P9H 0.45679 0.642857
19 48T 0.452381 0.610169
20 GVX 0.430233 0.637931
21 GCG 0.415584 0.678571
22 TS5 0.4 0.660714
Similar Ligands (3D)
Ligand no: 1; Ligand: GSF; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YZX; Ligand: GSF; 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: 1yzx.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1YZX; Ligand: GSF; 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: 1yzx.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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