Browse entries in the PDBbind-CN Database

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Related entries of code: 1ek1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1cr6RCSB PDB    PDBbind554aa, >1CR6_1|Chains... *
1ek2RCSB PDB    PDBbind554aa, >1EK2_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1vj5RCSB PDB    PDBbindCIU

Entry Information
PDB ID1ek1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameepoxide hydrolase
Ligand NameCIU
EC.Number E.C.3.3.2.3
Resolution 3.1(Å)
Affinity (Kd/Ki/IC50)Ki=17nM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v275 pp. 15265-70, 2000
Ligand Properties
Formula C13H17IN2O
Molecular Weight 344.191
Exact Mass 344.039
No. of atoms 34
No. of bonds 35
Polar Surface Area 41.13
LOGP Value 3.39      (Computed with XLOGP3)
4.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
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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