Structure of PDB 4ask Chain B Binding Site BS03

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 ID

InChI

InChI=1S/Co/q+2

InChIKey

XLJKHNWPARRRJB-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Co+2]
CACTVS 3.341	[Co++]

Formula

Name

COBALT (II) ION

PDB chain

4ask Chain B Residue 3000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4ask A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Resolution	1.86 Å
Binding residue (original residue number in PDB)	H1390 E1392
Binding residue (residue number reindexed from 1)	H181 E183
Annotation score	1

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
PDBsum	4ask
PubMed	22842901
UniProt	O15054\|KDM6B_HUMAN Lysine-specific demethylase 6B (Gene Name=KDM6B)

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