Browse entries in the PDBbind-CN Database

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Related entries of code: 4nvq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3k5kRCSB PDB    PDBbind283aa, >3K5K_1|Chains... at 99%
3rjwRCSB PDB    PDBbind283aa, >3RJW_1|Chains... at 99%
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
6i8yRCSB PDB    PDBbind2OD

Entry Information
PDB ID4nvq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistone-lysine N-methyltransferase EHMT2
Ligand Name2OD
EC.Number E.C.2.1.1.43
Resolution 2.03(Å)
Affinity (Kd/Ki/IC50)IC50=3.3nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) ACS Med Chem Lett Vol. 5: pp. 205-209
Ligand Properties
Formula C19H29N3O2
Molecular Weight 331.452
Exact Mass 331.226
No. of atoms 53
No. of bonds 56
Polar Surface Area 60.52
LOGP Value 3.67      (Computed with XLOGP3)
1.85      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
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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