Browse entries in the PDBbind-CN Database

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Related entries of code: 3k5k
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3rjwRCSB PDB    PDBbind283aa, >3RJW_1|Chains... at 99%
4nvqRCSB PDB    PDBbind285aa, >4NVQ_1|Chains... *
5ttfRCSB PDB    PDBbind283aa, >5TTF_1|Chains... at 99%
5tuyRCSB PDB    PDBbind268aa, >5TUY_1|Chains... at 99%
5vscRCSB PDB    PDBbind275aa, >5VSC_1|Chains... at 100%
5vseRCSB PDB    PDBbind275aa, >5VSE_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3k5k
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistone-lysine N-methyltransferase,G9a
Ligand NameDXQ
EC.Number E.C.2.1.1.43
Resolution 1.7(Å)
Affinity (Kd/Ki/IC50)Kd=23nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Med.Chem. Vol. 52: pp. 7950-7953
Ligand Properties
Formula C26H46N7O2
Molecular Weight 488.689
Exact Mass 488.371
No. of atoms 81
No. of bonds 84
Polar Surface Area 72.83
LOGP Value 3.41      (Computed with XLOGP3)
1.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
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): Q96KQ7  
Entrez Gene IDNCBI Entrez Gene ID: 10919  
ASDInformation of known allosteric effects of PDB entries
 
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