Structure of PDB 2xue Chain A Binding Site BS03

Receptor Information

>2xue Chain A (length=427) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

REKLNPPTPSIYLESKRDAFSPVLLQFCTDPRNPITVIRGLAGSLRLNLG
LFSTKTLVEASGEHTVEVRTQVQQPSDENWDLTGTRQIWPCESSRSHTTI
AKYAQYQASSFQESLHIIKFGTNIDLSDAKRWKPQLQELLKLPAFMRVTS
TGNMLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIGPGDC
EWFAVHEHYWETISAFCDRHGVDYLTGSWWPILDDLYASNIPVYRFVQRP
GDLVWINAGTVHWVQATGWCNNIAWNVGPLTAYQYQLALERYEWNEVKNV
KSIVPMIHVSWNVARTVKISDPDLFKMIKFCLLQSMKHCQVQRESLVRAG
KKIAYQGRVKDEPAYYCNECDVEVFNILFVTSENNTYLVHCEGCARRRSA
GLQGVVVLEQYRTEELAQAYDAFTLAP

Ligand information

Ligand ID

AKG

InChI

InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)

InChIKey

KPGXRSRHYNQIFN-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6	C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385	OC(=O)CCC(=O)C(O)=O

Formula

C5 H6 O5

Name

2-OXOGLUTARIC ACID

PDB chain

2xue Chain A Residue 4000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	2xue A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Resolution	2.0 Å
Binding residue (original residue number in PDB)	K1381 T1387 H1390 E1392 S1398 N1400 H1470
Binding residue (residue number reindexed from 1)	K173 T179 H182 E184 S190 N192 H262
Annotation score	5

Enzymatic activity

Enzyme Commision number

1.14.11.68: [histone H3]-trimethyl-L-lysine(27) demethylase.

External links

PDB	RCSB:2xue, PDBe:2xue, PDBj:2xue
PDBsum	2xue
PubMed	22842901
UniProt	O15054\|KDM6B_HUMAN Lysine-specific demethylase 6B (Gene Name=KDM6B)

[Back to BioLiP]