Structure of PDB 6ful Chain A Binding Site BS03

Receptor Information
>6ful Chain A (length=478) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVSIYPSSAEVLKACRNLSNSSILLDKCPPPRPPSSPYPPLPKDKLNPPT
PSIYLENKRDAFFPPLHQFCTNPNNPVTVIRGLAGALKLDLGLFSTKTLV
EANNEHMVEVRTQLLQPADENWDPTGTKKIWHCESNRSHTTIAKYAQYQA
SSFQESLREEPFKTIKFGTNIDLSDDKKWKLQLHELTKLPAFVRVVSAGN
LLSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIGPGDCEWF
VVPEGYWGVLNDFCEKNNLNFLMGSWWPNLEDLYEANVPVYRFIQRPGDL
VWINAGTVHWVQAIGWCNNIAWNVGPLTACQYKLAVERYEWNKLQSVKSI
VPMVHLSWNMARNIKVSDPKLFEMIKYCLLRTLKQCQTLREALIAAGKEI
IWHGRTKEEPAHYCSICEVEVFDLLFVTNESNSRKTYIVHCQDCARKTSG
NLENFVVLEQYKMEDLMQVYDQFTLAPP
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 chain6ful Chain A Residue 1503 [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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PDB6ful In Silico Identification of JMJD3 Demethylase Inhibitors.
Resolution1.649 Å
Binding residue
(original residue number in PDB)		C1331 C1334 C1358 C1361
Binding residue
(residue number reindexed from 1)		C414 C417 C441 C444
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.68: [histone H3]-trimethyl-L-lysine(27) demethylase.
External links
PDB RCSB:6ful, PDBe:6ful, PDBj:6ful
PDBsum6ful
PubMed30226987
UniProtO15550|KDM6A_HUMAN Lysine-specific demethylase 6A (Gene Name=KDM6A)

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