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Related entries of code: 3gx0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3m8uRCSB PDB    PDBbindGDS
4c0rRCSB PDB    PDBbindGDS
4f0cRCSB PDB    PDBbindGDS
4zb6RCSB PDB    PDBbindGDS
4zb8RCSB PDB    PDBbindGDS
4zbaRCSB PDB    PDBbindGDS

Entry Information
PDB ID3gx0
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameGSH-dependent Disulfide bond Oxidoreductase
Ligand NameGDS
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Kd=330uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) Biochemistry Vol. 48: pp. 6559-6561
Ligand Properties
Formula C20H34N6O12S2
Molecular Weight 614.647
Exact Mass 614.168
No. of atoms 74
No. of bonds 73
Polar Surface Area 371.48
LOGP Value -5.58      (Computed with XLOGP3)
-3.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 0
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): P77526  
Entrez Gene IDNCBI Entrez Gene ID: 61754594  946763  
ASDInformation of known allosteric effects of PDB entries

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