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Related entries of code: 1cr6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ek1RCSB PDB    PDBbind554aa, >1EK1_1|Chains... at 100%
1ek2RCSB PDB    PDBbind554aa, >1EK2_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 ID1cr6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameepoxide hydrolase
Ligand NameCPU
EC.Number E.C.3.3.2.3
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Ki=3.1nM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference Proc.Natl.Acad.Sci.USA v96 pp. 10637-42, 1999
Ligand Properties
Formula C16H24N2O
Molecular Weight 260.375
Exact Mass 260.189
No. of atoms 43
No. of bonds 44
Polar Surface Area 41.13
LOGP Value 3.49      (Computed with XLOGP3)
4.03      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 3
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): P34914  
Entrez Gene IDNCBI Entrez Gene ID: 13850  
ASDInformation of known allosteric effects of PDB entries

 
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