Structure of PDB 5ij8 Chain A Binding Site BS04

Receptor Information
>5ij8 Chain A (length=464) Species: 9606,28377 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKGPICWRKRVKSEYMRLRQLKRFRRADEVKSMFNSNRQKIQERTEILNQ
EWKQRRIQPVHIMRECSVTSDLDFPKQVIPLKTLNAVASVPIMYSWSPLQ
QNFMVEDINDEIFVELVNALGQLDRRDEKPSDKIFEAISSMFPDKGTAEE
LKEKYKECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPFHAT
PNTYKRWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKVYN
YQPCDHPRQPCDNSCPCVIAQNFCEKFCQCSSECQNRFPGCRCKAQCNTK
QCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRGSKKHLLLAPS
DVAGWGIFIKDPVQKNEFISENCGEIISQDEADRRGKVYDKYMCSFLFNL
NNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIGIFAKRAIQTG
EELFFDYRYSQADA
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5ij8 Chain A Residue 9004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5ij8 Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance.
Resolution2.99 Å
Binding residue
(original residue number in PDB)		C530 C543 C549 C553
Binding residue
(residue number reindexed from 1)		C261 C274 C280 C284
Annotation score1
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5ij8, PDBe:5ij8, PDBj:5ij8
PDBsum5ij8
PubMed27122193
UniProtG1KPH4;
Q15910|EZH2_HUMAN Histone-lysine N-methyltransferase EZH2 (Gene Name=EZH2)

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