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Related entries of code: 4ly1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3maxRCSB PDB    PDBbind367aa, >3MAX_1|Chains... at 93%
4lxzRCSB PDB    PDBbind369aa, >4LXZ_1|Chains... at 93%
5iwgRCSB PDB    PDBbind368aa, >5IWG_1|Chains... at 93%
5ix0RCSB PDB    PDBbind369aa, >5IX0_1|Chains... at 93%
6g3oRCSB PDB    PDBbind370aa, >6G3O_1|Chains... at 93%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4ly1
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHistone deacetylase 2
Ligand Name20Y
EC.Number E.C.3.5.1.98
Resolution 1.57(Å)
Affinity (Kd/Ki/IC50)Kd=0.0552uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Biol.Chem. Vol. 288: pp. 26926-26943
Ligand Properties
Formula C19H17N3O2S
Molecular Weight 351.422
Exact Mass 351.104
No. of atoms 42
No. of bonds 44
Polar Surface Area 112.46
LOGP Value 2.59      (Computed with XLOGP3)
4.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
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): Q92769  
Entrez Gene IDNCBI Entrez Gene ID: 3066  
ASDInformation of known allosteric effects of PDB entries
 
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