Structure of PDB 2xxz Chain A Binding Site BS01

Receptor Information
>2xxz Chain A (length=292) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REKLNPPTPSIYLESKRDAFSPVLLQFCTDPRNPITVIRGLAGSLRLNLG
LFSTKTLVEASGEHTVEVRTQVQQPSDENWDLTGTRQIWPCESSRSHTTI
AKYAQYQASSFQESLQEEHHIIKFGTNIDLSDAKRWKPQLQELLKLPAFM
RVTSTGNMLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIG
PGDCEWFAVHEHYWETISAFCDRHGVDYLTGSWWPILDDLYASNIPVYRF
VQRPGDLVWINAGTVHWVQATGWCNNIAWNVGPLTAYQYQLA
Ligand information
Ligand ID8XQ
InChIInChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)
InChIKeyJGRPKOGHYBAVMW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1ccc(O)c2ncccc12
CACTVS 3.370OC(=O)c1ccc(O)c2ncccc12
OpenEye OEToolkits 1.7.0c1cc2c(ccc(c2nc1)O)C(=O)O
FormulaC10 H7 N O3
Name8-hydroxyquinoline-5-carboxylic acid
ChEMBLCHEMBL1230640
DrugBank
ZINCZINC000005933707
PDB chain2xxz Chain A Residue 3001 [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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PDB2xxz Crystal Structure of the Human Jmjd3 Jumonji Domain
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Y1376 K1378 T1384 H1387 E1389 N1397 W1407 H1467 N1477
Binding residue
(residue number reindexed from 1)		Y175 K177 T183 H186 E188 N196 W206 H266 N276
Annotation score1
Binding affinityBindingDB: IC50=100nM
Enzymatic activity
Enzyme Commision number 1.14.11.68: [histone H3]-trimethyl-L-lysine(27) demethylase.
External links
PDB RCSB:2xxz, PDBe:2xxz, PDBj:2xxz
PDBsum2xxz
PubMed
UniProtO15054|KDM6B_HUMAN Lysine-specific demethylase 6B (Gene Name=KDM6B)

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