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Related entries of code: 3znr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3c0zRCSB PDB    PDBbind423aa, >3C0Z_1|Chains... *
3c10RCSB PDB    PDBbind423aa, >3C10_1|Chains... at 100%
3znsRCSB PDB    PDBbind423aa, >3ZNS_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 ID3znr
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHISTONE DEACETYLASE 7
Ligand NameNU9
EC.Number E.C.3.5.1.98
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=36nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Nat.Chem.Biol. Vol. 9: pp. 319
Ligand Properties
Formula C25H23F3N4O3S
Molecular Weight 516.535
Exact Mass 516.144
No. of atoms 59
No. of bonds 63
Polar Surface Area 114.58
LOGP Value 4.80      (Computed with XLOGP3)
5.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
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): Q8WUI4  
Entrez Gene IDNCBI Entrez Gene ID: 51564  
ASDInformation of known allosteric effects of PDB entries
 
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