Structure of PDB 5rax Chain B Binding Site BS01

Receptor Information

>5rax Chain B (length=344) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MTSHSWLCDGRLLCLHDPSNKNNWKIFRECWKQGQPVLVSGVHKKLKSEL
WKPEAFSQEFGDQDVDLVNCRNCAIISDVKVRDFWDGFEIICKRLRSEDG
QPMVLKLKDWPPGEDFRDMMPTRFEDLMENLPLPEYTKRDGRLNLASRLP
SYFVRPDLGPKMYNAYGLITAEDRRVGTTNLHLDVSDAVNVMVYVGIPIA
HDEEVLKTIDEGDADEVTKERIHDHKEKPGALWHIYAAKDAEKIRELLRK
VGEEQGQENPPDHDPIHDQSWYLDQTLRKRLYEEYGVQGWAIVQFLGDAV
FIPAGAPHQVHNLYSCIKVAEDFVSPEHVKHCFRLTQEFRHLSN

Ligand information

Ligand ID

S9J

InChI

InChI=1S/C9H12N2O3/c1-13-7-4-2-3-5-8(7)14-6-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)

InChIKey

WGQDMRNLIVOSOW-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	COc1ccccc1OCC(=O)NN

Formula

C9 H12 N2 O3

Name

2-(2-methoxyphenoxy)ethanehydrazide

PDB chain

5rax Chain B Residue 1801 [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	5rax PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
Resolution	2.01 Å
Binding residue (original residue number in PDB)	C1392 H1394 R1602
Binding residue (residue number reindexed from 1)	C14 H16 R221
Annotation score	1

Enzymatic activity

Enzyme Commision number

1.14.11.65: [histone H3]-dimethyl-L-lysine(9) demethylase.

Gene Ontology

	Molecular Function
GO:0032454	histone H3K9 demethylase activity

View graph for
Molecular Function

External links

PDB	RCSB:5rax, PDBe:5rax, PDBj:5rax
PDBsum	5rax
PubMed
UniProt	Q7LBC6\|KDM3B_HUMAN Lysine-specific demethylase 3B (Gene Name=KDM3B)

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