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Related entries of code: 5arf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3s7bRCSB PDB    PDBbind433aa, >3S7B_1|Chain... at 99%
4wuyRCSB PDB    PDBbind441aa, >4WUY_1|Chain... at 98%
4yndRCSB PDB    PDBbind461aa, >4YND_1|Chain... *
5argRCSB PDB    PDBbind433aa, >5ARG_1|Chain... at 99%
5kjkRCSB PDB    PDBbind429aa, >5KJK_1|Chain... at 99%
5kjmRCSB PDB    PDBbind429aa, >5KJM_1|Chain... at 99%
5kjnRCSB PDB    PDBbind429aa, >5KJN_1|Chain... at 99%
5v3hRCSB PDB    PDBbind444aa, >5V3H_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID5arf
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProtein Lysine Methyltransferase SMYD2
Ligand NameI9H
EC.Number E.C.-.-.-.-
Resolution 1.92(Å)
Affinity (Kd/Ki/IC50)Kd=540nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Med.Chem. Vol. 59: pp. 4578-4600
Ligand Properties
Formula C22H22ClF2N6O3
Molecular Weight 491.898
Exact Mass 491.141
No. of atoms 56
No. of bonds 58
Polar Surface Area 112.99
LOGP Value 3.32      (Computed with XLOGP3)
2.28      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
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): Q9NRG4  
Entrez Gene IDNCBI Entrez Gene ID: 56950  
ASDInformation of known allosteric effects of PDB entries

 
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