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Related entries of code: 3g0i
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
1nu3RCSB PDB    PDBbindVPR
Entry Information
PDB ID3g0i
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameAspergillus niger epoxide hydrolase
Ligand NameVPR
EC.Number E.C.3.3.2.9
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=250uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Am.Chem.Soc. Vol. 131: pp. 7334-7343
Ligand Properties
Formula C8H17NO
Molecular Weight 143.227
Exact Mass 143.131
No. of atoms 27
No. of bonds 26
Polar Surface Area 43.09
LOGP Value 1.98      (Computed with XLOGP3)
2.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 2
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): Q9UR30  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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