Structure of PDB 5fp3 Chain A Binding Site BS02

Receptor Information
>5fp3 Chain A (length=435) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PREKLNPPTPSIYLESKRDAFSPVLLQFCTDPRNPITVIRGLAGSLRLNL
GLFSTKTLVEASGEHTVEVRTQVQQPSDENWDLTGTRQIWPCESSRSHTT
IAKYAQYQASSFQESLPKNHHIIKFGTNIDLSDAKRWKPQLQELLKLPAF
MRVTSTGNMLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINI
GPGDCEWFAVHEHYWETISAFCDRHGVDYLTGSWWPILDDLYASNIPVYR
FVQRPGDLVWINAGTVHWVQATGWCNNIAWNVGPLTAYQYQLALERYEWN
EVKNVKSIVPMIHVSWNVARTVKISDPDLFKMIKFCLLQSMKHCQVQRES
LVRAGKKIAYQGRVKDEPAYYCNECDVEVFNILFVTSENGSRNTYLVHCE
GCARRRSAGLQGVVVLEQYRTEELAQAYDAFTLAP
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 chain5fp3 Chain A 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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PDB5fp3 Cell Penetrant Inhibitors of the Kdm4 and Kdm5 Families of Histone Lysine Demethylases. 1. 3-Amino-4-Pyridine Carboxylate Derivatives.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		C1575 C1578 C1602 C1605
Binding residue
(residue number reindexed from 1)		C372 C375 C399 C402
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.68: [histone H3]-trimethyl-L-lysine(27) demethylase.
External links
PDB RCSB:5fp3, PDBe:5fp3, PDBj:5fp3
PDBsum5fp3
PubMed26771107
UniProtO15054|KDM6B_HUMAN Lysine-specific demethylase 6B (Gene Name=KDM6B)

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