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Related entries of code: 3srg
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 ID3srg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameserum paraoxonase
Ligand NameOCH
EC.Number E.C.3.1.1.2
Resolution 2.19(Å)
Affinity (Kd/Ki/IC50)Ki~2uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Mol.Biol. Vol. 418: pp. 181-196
Ligand Properties
Formula C9H7NO
Molecular Weight 145.158
Exact Mass 145.053
No. of atoms 18
No. of bonds 19
Polar Surface Area 32.86
LOGP Value 1.33      (Computed with XLOGP3)
1.53      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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