Browse entries in the PDBbind-CN Database

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Related entries of code: 6e6m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5ha1RCSB PDB    PDBbind140aa, >5HA1_1|Chain... *
5hbsRCSB PDB    PDBbind140aa, >5HBS_1|Chain... at 100%
6e5tRCSB PDB    PDBbind140aa, >6E5T_1|Chain... at 100%
6e5lRCSB PDB    PDBbind140aa, >6E5L_1|Chain... 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 ID6e6m
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameRetinol-binding protein 1
Ligand Name8CB
EC.Number E.C.-.-.-.-
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)Ki=1786.5nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Chem.Biol. Vol. 14: pp. 434-448
Ligand Properties
Formula C17H22O2
Molecular Weight 258.355
Exact Mass 258.162
No. of atoms 41
No. of bonds 42
Polar Surface Area 40.46
LOGP Value 4.47      (Computed with XLOGP3)
4.42      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 2
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): P09455  
Entrez Gene IDNCBI Entrez Gene ID: 5947  
ASDInformation of known allosteric effects of PDB entries

 
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