Structure of PDB 7xua Chain B Binding Site BS03

Receptor Information

>7xua Chain B (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

RTEKIICRDVARGYENVPIPCVNGVDGEPCPEDYKYISENCETSTMNIDR
NITHLQHCTCVDDCSSSNCLCGQLSIRCWYDKDGRLLQEFNKIEPPLIFE
CNQACSCWRNCKNRVVQSGIKVRLQLYRTAKMGWGVRALQTIPQGTFICE
YVGELISDAEADVREDDSYLFDLDNGEVYCIDARYYGNISRFINHLCDPN
IIPVRVFMLHQDLRFPRIAFFSSRDIRTGEELGFDYGDRFWDIKSKYFTC
QCGSEKCKHSAEAIALEQSRLARL

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

7xua Chain B Residue 1203 [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	7xua Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
Resolution	1.87 Å
Binding residue (original residue number in PDB)	C974 C976 C980 C985
Binding residue (residue number reindexed from 1)	C58 C60 C64 C69
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.1.1.-
2.1.1.367: [histone H3]-lysine(9) N-methyltransferase.

Gene Ontology

	Molecular Function
GO:0002039	p53 binding
GO:0008270	zinc ion binding
GO:0016279	protein-lysine N-methyltransferase activity
GO:0042054	histone methyltransferase activity

	Cellular Component
GO:0005634	nucleus

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Molecular Function

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Cellular Component

External links

PDB	RCSB:7xua, PDBe:7xua, PDBj:7xua
PDBsum	7xua
PubMed	36882960
UniProt	Q96KQ7\|EHMT2_HUMAN Histone-lysine N-methyltransferase EHMT2 (Gene Name=EHMT2)

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