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Related entries of code: 5mlj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6j3pRCSB PDB    PDBbind135aa, >6J3P_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID5mlj
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHistone acetyltransferase KAT2A
Ligand Name9ST
EC.Number E.C.2.3.1.48
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=1.4nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) J. Med. Chem. Vol. 60: pp. 695-709
Ligand Properties
Formula C17H22BrN4O
Molecular Weight 378.287
Exact Mass 377.098
No. of atoms 45
No. of bonds 47
Polar Surface Area 49.47
LOGP Value 2.24      (Computed with XLOGP3)
1.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
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): Q92830  
Entrez Gene IDNCBI Entrez Gene ID: 2648  
ASDInformation of known allosteric effects of PDB entries
 
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