Browse entries in the PDBbind-CN Database

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Related entries of code: 6ce8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5kh3RCSB PDB    PDBbind107aa, >5KH3_1|Chain... *
5kh7RCSB PDB    PDBbind107aa, >5KH7_1|Chain... at 100%
6ce6RCSB PDB    PDBbind107aa, >6CE6_1|Chain... at 100%
6ceaRCSB PDB    PDBbind107aa, >6CEA_1|Chain... at 100%
6cecRCSB PDB    PDBbind107aa, >6CEC_1|Chain... at 100%
6cedRCSB PDB    PDBbind107aa, >6CED_1|Chain... at 100%
6ceeRCSB PDB    PDBbind107aa, >6CEE_1|Chain... at 100%
6cefRCSB PDB    PDBbind107aa, >6CEF_1|Chain... at 100%
5wpbRCSB PDB    PDBbind102aa, >5WPB_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 ID6ce8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistone deacetylase 6
Ligand NameEYV
EC.Number E.C.3.5.1.98
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)IC50=390uM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 4517-4527
Ligand Properties
Formula C9H7NO2S
Molecular Weight 193.222
Exact Mass 193.020
No. of atoms 20
No. of bonds 21
Polar Surface Area 78.43
LOGP Value 3.32      (Computed with XLOGP3)
1.92      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 1
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): Q9UBN7  
Entrez Gene IDNCBI Entrez Gene ID: 10013  
ASDInformation of known allosteric effects of PDB entries
 
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