Structure of PDB 4ask Chain B Binding Site BS01

Receptor Information
>4ask Chain B (length=423) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLNPPTPSIYLESKRDAFSPVLLQFCTDPRNPITVIRGLAGSLRLNLGLF
STKTLVEASGEHTVEVRTQVQQPSDENWDLTGTRQIWPCESSRSHTTIAK
YAQYQASSFQESLHHIIKFGTNIDLSDAKRWKPQLQELLKLPAFMRVTST
GNMLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIGPGDCE
WFAVHEHYWETISAFCDRHGVDYLTGSWWPILDDLYASNIPVYRFVQRPG
DLVWINAGTVHWVQATGWCNNIAWNVGPLTAYQYQLALERYEWNEVKNVK
SIVPMIHVSWNVARTVKISDPDLFKMIKFCLLQSMKHCQVQRESLVRAGK
KIAYQGRVKDEPAYYCNECDVEVFNILFVTSTYLVHCEGCARRRSAGLQG
VVVLEQYRTEELAQAYDAFTLAP
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 chain4ask Chain B Residue 2000 [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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PDB4ask A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Resolution1.86 Å
Binding residue
(original residue number in PDB)		C1575 C1578 C1602 C1605
Binding residue
(residue number reindexed from 1)		C366 C369 C387 C390
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.68: [histone H3]-trimethyl-L-lysine(27) demethylase.
External links
PDB RCSB:4ask, PDBe:4ask, PDBj:4ask
PDBsum4ask
PubMed22842901
UniProtO15054|KDM6B_HUMAN Lysine-specific demethylase 6B (Gene Name=KDM6B)

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