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Related entries of code: 1x8j
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 ID1x8j
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameretinol dehydratase
Ligand NameAOI
EC.Number E.C.-.-.-.-
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)Ki=0.11uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference Protein Sci. v14 pp. 176-82, 2005
Ligand Properties
Formula C19H30O2
Molecular Weight 290.440
Exact Mass 290.225
No. of atoms 51
No. of bonds 54
Polar Surface Area 37.3
LOGP Value 3.87      (Computed with XLOGP3)
3.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 4
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): Q26490  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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