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Related entries of code: 4hj2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1gsfRCSB PDB    PDBbind221aa, >1GSF:D|PDBID|CHAIN|... at 99%
1ydkRCSB PDB    PDBbind222aa, >1YDK:B|PDBID|CHAIN|... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4hj2
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameGlutathione S-transferase A1
Ligand NameLZ6
EC.Number E.C.2.5.1.18
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Kd=2.95mM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Plos One Vol. 8: pp. e56337-e56337
Ligand Properties
Formula C24H36ClN4O8S
Molecular Weight 576.083
Exact Mass 575.194
No. of atoms 74
No. of bonds 74
Polar Surface Area 226.28
LOGP Value 1.04      (Computed with XLOGP3)
0.82      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 1
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P08263  
Entrez Gene IDNCBI Entrez Gene ID: 2938  
ASDInformation of known allosteric effects of PDB entries

 
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