Browse entries in the PDBbind-CN Database

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Related entries of code: 4ask
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5fpuRCSB PDB    PDBbindK0I
6dq4RCSB PDB    PDBbindK0I

Entry Information
PDB ID4ask
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLYSINE-SPECIFIC DEMETHYLASE 6B
Ligand NameK0I
EC.Number E.C.1.14.11
Resolution 1.86(Å)
Affinity (Kd/Ki/IC50)IC50=60nM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Nature Vol. 488: pp. 404-408.
Ligand Properties
Formula C22H23N5O2
Molecular Weight 389.450
Exact Mass 389.185
No. of atoms 52
No. of bonds 55
Polar Surface Area 91.24
LOGP Value 5.09      (Computed with XLOGP3)
3.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): O15054  
Entrez Gene IDNCBI Entrez Gene ID: 23135  
ASDInformation of known allosteric effects of PDB entries

 
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