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Related entries of code: 5lsx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4fmuRCSB PDB    PDBbind278aa, >4FMU_1|Chain... at 100%
5lssRCSB PDB    PDBbind295aa, >5LSS_1|Chain... *
5lsyRCSB PDB    PDBbind295aa, >5LSY_1|Chain... at 100%
5lt6RCSB PDB    PDBbind295aa, >5LT6_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5lsx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHistone-lysine N-methyltransferase SETD2
Ligand Name76O
EC.Number E.C.2.1.1.43
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)IC50=1.2uM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) ACS Chem. Biol. Vol. 11: pp. 3093-3105
Ligand Properties
Formula C22H31N7O5
Molecular Weight 473.525
Exact Mass 473.239
No. of atoms 65
No. of bonds 68
Polar Surface Area 200.86
LOGP Value -2.28      (Computed with XLOGP3)
-1.39      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 12
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): Q9BYW2  
Entrez Gene IDNCBI Entrez Gene ID: 29072  
ASDInformation of known allosteric effects of PDB entries
 
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