Structure of PDB 4xdo Chain B Binding Site BS02

Receptor Information
>4xdo Chain B (length=338) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LNPSCKIMTFRPSMEEFREFNKYLAYMESKGAHRAGLAKVIPPKEWKPRQ
CYDDIDNLLIPAPIQQMVTGQSGLFTQYNIQKKAMTVKEFRQLANSGKYC
TPRYLDYEDLERKYWKNLTFVAPIYGADINGSIYDEGVDEWNIARLNTVL
DVVEEECGISIEGVNTPYLYFGMWKTTFAWHTEDMDLYSINYLHFGEPKS
WYAIPPEHGKRLERLAQGFFPSSSQGCDAFLRHKMTLISPSVLKKYGIPF
DKITQEAGEFMITFPYGYHAGFNHGFNCAESTNFATVRWIDYGKVAKLCT
CRKDMVKISMDIFVRKFQPDRYQLWKQGKDIYTIDHTK
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 chain4xdo Chain B Residue 402 [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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PDB4xdo A High-Throughput Mass Spectrometry Assay Coupled with Redox Activity Testing Reduces Artifacts and False Positives in Lysine Demethylase Screening.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		H190 E192 H278
Binding residue
(residue number reindexed from 1)		H181 E183 H269
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G172 Y179 H190 E192 H278 S290
Catalytic site (residue number reindexed from 1) G163 Y170 H181 E183 H269 S281
Enzyme Commision number 1.14.11.66: [histone H3]-trimethyl-L-lysine(9) demethylase.
External links
PDB RCSB:4xdo, PDBe:4xdo, PDBj:4xdo
PDBsum4xdo
PubMed25755264
UniProtQ9H3R0|KDM4C_HUMAN Lysine-specific demethylase 4C (Gene Name=KDM4C)

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