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Related entries of code: 13gs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
10gsRCSB PDB    PDBbind209aa, >10GS_1|Chains... at 100%
11gsRCSB PDB    PDBbind210aa, >11GS_1|Chains... *
1lbkRCSB PDB    PDBbind208aa, >1LBK_1|Chains... at 97%
2gssRCSB PDB    PDBbind209aa, >2GSS_1|Chains... at 100%
2j9hRCSB PDB    PDBbind209aa, >2J9H_1|Chains... at 98%
3dgqRCSB PDB    PDBbind210aa, >3DGQ_1|Chains... at 100%
3gssRCSB PDB    PDBbind209aa, >3GSS_1|Chains... at 100%
3gusRCSB PDB    PDBbind209aa, >3GUS_1|Chains... at 100%
3hjoRCSB PDB    PDBbind209aa, >3HJO_1|Chains... at 99%
3ie3RCSB PDB    PDBbind209aa, >3IE3_1|Chains... at 99%
5j41RCSB PDB    PDBbind209aa, >5J41_1|Chains... at 100%
5x79RCSB PDB    PDBbind210aa, >5X79_1|Chains... 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 ID13gs
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameglutathione s-transferase
Ligand NameSAS
EC.Number E.C.2.5.1.18
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)Ki=24uM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference J.Mol.Biol. v291 pp. 913-26, 1999
Ligand Properties
Formula C18H14N4O5S
Molecular Weight 398.393
Exact Mass 398.068
No. of atoms 42
No. of bonds 44
Polar Surface Area 149.69
LOGP Value 4.29      (Computed with XLOGP3)
4.86      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
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): P09211  
Entrez Gene IDNCBI Entrez Gene ID: 2950  
ASDInformation of known allosteric effects of PDB entries

 
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