Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 1ek2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1cr6RCSB PDB    PDBbind554aa, >1CR6_1|Chains... *
1ek1RCSB PDB    PDBbind554aa, >1EK1_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 ID1ek2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameepoxide hydrolase
Ligand NameCDU
EC.Number E.C.3.3.2.3
Resolution 3(Å)
Affinity (Kd/Ki/IC50)Ki=6.3nM
Release Year2000
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v275 pp. 15265-70, 2000
Ligand Properties
Formula C17H34N2O
Molecular Weight 282.465
Exact Mass 282.267
No. of atoms 54
No. of bonds 54
Polar Surface Area 41.13
LOGP Value 5.68      (Computed with XLOGP3)
5.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
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

 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝e湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com