Browse entries in the PDBbind-CN Database

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Related entries of code: 1gsf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ydkRCSB PDB    PDBbind222aa, >1YDK_1|Chains... *
4hj2RCSB PDB    PDBbind217aa, >4HJ2_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2gssRCSB PDB    PDBbindEAA
3dgqRCSB PDB    PDBbindEAA
3hjoRCSB PDB    PDBbindEAA

Entry Information
PDB ID1gsf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameglutathione s-transferase a1-1
Ligand NameEAA
EC.Number E.C.
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50~10uM
Release Year1995
Protein/NA SequenceCheck fasta file
Primary Reference Structure v3 pp. 717-27, 1995
Ligand Properties
Formula C13H12Cl2O4
Molecular Weight 303.138
Exact Mass 302.011
No. of atoms 31
No. of bonds 31
Polar Surface Area 63.6
LOGP Value 4.71      (Computed with XLOGP3)
3.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 4
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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