Structure of PDB 2xue Chain B Binding Site BS02

Receptor Information
>2xue 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]
LNPPTPSIYLESKRDAFSPVLLQFCTDPRNPITVIRGLAGSLRLNLGLFS
TKTLVEASGEHTVEVRTQVQQPSDENWDLTGTRQIWPCESSRSHTTIAKY
AQYQASSFQESLHHIIKFGTNIDLSDAKRWKPQLQELLKLPAFMRVTSTG
NMLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIGPGDCEW
FAVHEHYWETISAFCDRHGVDYLTGSWWPILDDLYASNIPVYRFVQRPGD
LVWINAGTVHWVQATGWCNNIAWNVGPLTAYQYQLALERYEWNEVKNVKS
IVPMIHVSWNVARTVKISDPDLFKMIKFCLLQSMKHCQVQRESLVRAGKK
IAYQGRVKDEPAYYCNECDVEVFNILFVTSNTYLVHCEGCARRRSAGLQG
VVVLEQYRTEELAQAYDAFTLAP
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain2xue Chain B Residue 3000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2xue A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H1390 E1392 H1470
Binding residue
(residue number reindexed from 1)		H180 E182 H260
Annotation score1
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
PDBsum2xue
PubMed22842901
UniProtO15054|KDM6B_HUMAN Lysine-specific demethylase 6B (Gene Name=KDM6B)

[Back to BioLiP]