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Related entries of code: 5wpb
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%
6ce8RCSB PDB    PDBbind107aa, >6CE8_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%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5wpb
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistone deacetylase 6
Ligand NameB8P
EC.Number E.C.3.5.1.98 ;3.5.1
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)IC50=270uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 9090-9096
Ligand Properties
Formula C17H15N3O3
Molecular Weight 309.319
Exact Mass 309.111
No. of atoms 38
No. of bonds 40
Polar Surface Area 85.2
LOGP Value 3.21      (Computed with XLOGP3)
2.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
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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