Structure of PDB 5ij7 Chain B Binding Site BS04

Receptor Information
>5ij7 Chain B (length=469) Species: 9606,28377 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKGPICWRKRVKSEYMRLRQLKRFRRADEVKSMFNSNRQKIQERTEILNQ
EWKQRRIQPVHIMTRECSVTSDLDFPKQVIPLKTLNAVASVPIMYSWSPL
QQNFMVEDINDEIFVELVNALGQLDRRDEKPSDKIFEAISSMFPDKGTAE
ELKEKYKELTCTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLHPF
HATPNTYKRVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFR
VKVYNYQPCDHPRQPCDNSCPCVIAQNFCEKFCQCSSECQNRFPGCRCKA
QCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRGSKKHL
LLAPSDVAGWGIFIKDPVQKNEFISEYCGEIISQDEADRRGKVYDKYMCS
FLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIGIFAKR
AIQTGEELFFDYRYSQADA
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 chain5ij7 Chain B Residue 9004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ij7 Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		C530 C543 C549 C553
Binding residue
(residue number reindexed from 1)		C266 C279 C285 C289
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:5ij7, PDBe:5ij7, PDBj:5ij7
PDBsum5ij7
PubMed27122193
UniProtG1KPH4;
Q15910|EZH2_HUMAN Histone-lysine N-methyltransferase EZH2 (Gene Name=EZH2)

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