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Related entries of code: 3rjw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3k5kRCSB PDB    PDBbind283aa, >3K5K_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 ID3rjw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehistone lysine methyltransferase g9a
Ligand NameCIQ
EC.Number E.C.2.1.1.43
Resolution 2.56(Å)
Affinity (Kd/Ki/IC50)Kd=27nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Nat.Chem.Biol. Vol. 7: pp. 566-574
Ligand Properties
Formula C30H49N5O2
Molecular Weight 511.742
Exact Mass 511.389
No. of atoms 86
No. of bonds 90
Polar Surface Area 65.15
LOGP Value 6.28      (Computed with XLOGP3)
6.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 10
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): Q96KQ7  
Entrez Gene IDNCBI Entrez Gene ID: 10919  
ASDInformation of known allosteric effects of PDB entries

 
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