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Related entries of code: 2gvv
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID2gvv
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namephosphotriesterase
Ligand NameDI9
EC.Number E.C.3.1.8.2
Resolution 1.73(Å)
Affinity (Kd/Ki/IC50)Ki=125uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference J.Am.Chem.Soc. v128 pp. 12750-7, 2006
Ligand Properties
Formula C10H20NO3P
Molecular Weight 233.244
Exact Mass 233.118
No. of atoms 35
No. of bonds 36
Polar Surface Area 71.36
LOGP Value 1.26      (Computed with XLOGP3)
3.67      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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): Q7SIG4  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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