Structure of PDB 6fuk Chain A Binding Site BS02

Receptor Information

>6fuk Chain A (length=477) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SVSIYPSSAEVLKACRNLSNSSILLDKCPPPRPPSSPYPPLPKDKLNPPT
PSIYLENKRDAFFPPLHQFCTNPNNPVTVIRGLAGALKLDLGLFSTKTLV
EANNEHMVEVRTQLLQPADENWDPTGTKKIWHCESNRSHTTIAKYAQYQA
SSFQESLREPFKTIKFGTNIDLSDDKKWKLQLHELTKLPAFVRVVSAGNL
LSHVGHTILGMNTVQLYMKVPGSRTPGHQENNNFCSVNINIGPGDCEWFV
VPEGYWGVLNDFCEKNNLNFLMGSWWPNLEDLYEANVPVYRFIQRPGDLV
WINAGTVHWVQAIGWCNNIAWNVGPLTACQYKLAVERYEWNKLQSVKSIV
PMVHLSWNMARNIKVSDPKLFEMIKYCLLRTLKQCQTLREALIAAGKEII
WHGRTKEEPAHYCSICEVEVFDLLFVTNESNSRKTYIVHCQDCARKTSGN
LENFVVLEQYKMEDLMQVYDQFTLAPP

Ligand information

Ligand ID

8XQ

InChI

InChI=1S/C10H7NO3/c12-8-4-3-7(10(13)14)6-2-1-5-11-9(6)8/h1-5,12H,(H,13,14)

InChIKey

JGRPKOGHYBAVMW-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 12.01	O=C(O)c1ccc(O)c2ncccc12
CACTVS 3.370	OC(=O)c1ccc(O)c2ncccc12
OpenEye OEToolkits 1.7.0	c1cc2c(ccc(c2nc1)O)C(=O)O

Formula

C10 H7 N O3

Name

8-hydroxyquinoline-5-carboxylic acid

PDB chain

6fuk Chain A Residue 1502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6fuk In Silico Identification of JMJD3 Demethylase Inhibitors.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	Y1135 K1137 T1143 H1146 N1156 W1166 H1226
Binding residue (residue number reindexed from 1)	Y217 K219 T225 H228 N238 W248 H308
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.14.11.68: [histone H3]-trimethyl-L-lysine(27) demethylase.

External links

PDB	RCSB:6fuk, PDBe:6fuk, PDBj:6fuk
PDBsum	6fuk
PubMed	30226987
UniProt	O15550\|KDM6A_HUMAN Lysine-specific demethylase 6A (Gene Name=KDM6A)

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