Browse entries in the PDBbind-CN Database

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Related entries of code: 3max
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4lxzRCSB PDB    PDBbind369aa, >4LXZ_1|Chains... at 93%
4ly1RCSB PDB    PDBbind369aa, >4LY1_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 ID3max
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHuman Histone deacetylase 2, HDAC2
Ligand NameLLX
EC.Number E.C.
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)IC50=0.90uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Bioorg.Med.Chem.Lett. Vol. 20: pp. 3142-3145
Ligand Properties
Formula C19H16N2O
Molecular Weight 288.343
Exact Mass 288.126
No. of atoms 38
No. of bonds 40
Polar Surface Area 55.12
LOGP Value 3.70      (Computed with XLOGP3)
4.84      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
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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