Structure of PDB 4ezh Chain B Binding Site BS02

Receptor Information
>4ezh Chain B (length=451) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESYLSPAQSVKPKIEKLPREKLNPPTPSIYLESKRDAFSPVLLQFCTDPR
NPITVIRGLAGSLRLNLGLFSTKTLVEASGEHTVEVRTQVQQPSDENWDL
TGTRQIWPCESSRSHTTIAKYAQYQASSFQESLQEELEVLFHHIIKFGTN
IDLSDAKRWKPQLQELLKLPAFMRVTSTGNMLSHVGHTILGMNTVQLYMK
VPGSRTPGHQENNNFCSVNINIGPGDCEWFAVHEHYWETISAFCDRHGVD
YLTGSWWPILDDLYASNIPVYRFVQRPGDLVWINAGTVHWVQATGWCNNI
AWNVGPLTAYQYQLALERYEWNEVKNVKSIVPMIHVSWNVARTVKISDPD
LFKMIKFCLLQSMKHCQVQRESLVRAGKKIAYQGRVKDEPAYYCNECDVE
VFNILFVTSTYLVHCEGCARRRSAGLQGVVVLEQYRTEELAQAYDAFTLA
P
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 chain4ezh Chain B Residue 1702 [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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PDB4ezh A selective jumonji H3K27 demethylase inhibitor modulates the proinflammatory macrophage response.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		C1575 C1578 C1602 C1605
Binding residue
(residue number reindexed from 1)		C394 C397 C415 C418
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.68: [histone H3]-trimethyl-L-lysine(27) demethylase.
External links
PDB RCSB:4ezh, PDBe:4ezh, PDBj:4ezh
PDBsum4ezh
PubMed22842901
UniProtQ5NCY0|KDM6B_MOUSE Lysine-specific demethylase 6B (Gene Name=Kdm6b)

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