Structure of PDB 5ls6 Chain A Binding Site BS01

Receptor Information

>5ls6 Chain A (length=570) Species: 9606 (Homo sapiens)

KGPVCWRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQE
WKQRRIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPI
MYSWSPLQQNFMVEDETVLHNIPYMGDEVLDQDGTFIEELIKNYDGKVHG
DRECGFINDEIFVELVNALGQYNESRPPRSDKIFEAISSMFPDKGTAEEL
KEKYKELTQPPECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLH
PFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAALTAERIKTPN
IEPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKE
SSIIAPAHVYNYQPCDHPRQPCDSSCPCVIAQNFCEKFCQCSSECQNRFP
GCRCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQR
GSKKHLLLAPSDVAGWGIFIKDPVQKNEFISEYCGEIISQDEADRRGKVY
DKYMCSFLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRI
GIFAKRAIQTGEELFFDYRY

Ligand information

>5ls6 Chain Q (length=10) Species: 9606 (Homo sapiens)

LQAQRKFAQS

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ls6 Identification of (R)-N-((4-Methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-2-methyl-1-(1-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)ethyl)-1H-indole-3-carboxamide (CPI-1205), a Potent and Selective Inhibitor of Histone Methyltransferase EZH2, Suitable for Phase I Clinical Trials for B-Cell Lymphomas.
• Resolution: 3.47 Å
• Binding residue (original residue number in PDB): D136 D140
• Binding residue (residue number reindexed from 1): D127 D131

Enzymatic activity

• Enzyme Commision number: 2.1.1.356: [histone H3]-lysine(27) N-trimethyltransferase.

Gene Ontology

Molecular Function

• GO:0042054 histone methyltransferase activity
• GO:0046976 histone H3K27 methyltransferase activity

Biological Process

• GO:0006338 chromatin remodeling

External links

• PDB: RCSB:5ls6, PDBe:5ls6, PDBj:5ls6
• PDBsum: 5ls6
• PubMed: 27739677
• UniProt: Q15910|EZH2_HUMAN Histone-lysine N-methyltransferase EZH2 (Gene Name=EZH2)