Structure of PDB 4u7t Chain A Binding Site BS04

Receptor Information

>4u7t Chain A (length=417) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EFRERLVYEVRQKCRNIEDICISCGSLNVTLEHPLFVGGMCQNCKNCFLE
CAYQYDDDGYQSYCTICCGGREVLMCGNNNCCRCFCVECVDLLVGPGAAQ
AAIKEDPWNCYMCGHKGTYGLLRRREDWPSRLQMFFAKVYPPVPAEKRKP
IRVLSLFDGIATGLLVLKDLGIQVDRYIASEVCEDSITVGMVRHQGKIMY
VGDVRSVTQKHIQEWGPFDLVIGGSPCNDLSIVNPARKGLYEGTGRLFFE
FYRLLHDARPKEGDDRPFFWLFENVVAMGVSDKRDISRFLESNPVMIDAK
EVSAAHRARYFWGNLPGMNRPLASTVNDKLELQECLEHGRIAKFSKVRTI
QHFPVFMNEKEDILWCTEMERVFGFPVHYTDVSNMSRLARQRLLGRSWSV
PVIRHLFAPLKEYFACV

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

4u7t Chain A Residue 1003 [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	4u7t Structural insight into autoinhibition and histone H3-induced activation of DNMT3A
Resolution	2.9 Å
Binding residue (original residue number in PDB)	C554 C583 C586
Binding residue (residue number reindexed from 1)	C81 C110 C113
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.1.1.-
2.1.1.37: DNA (cytosine-5-)-methyltransferase.

Gene Ontology

	Molecular Function
GO:0008168	methyltransferase activity

	Biological Process
GO:0010468	regulation of gene expression

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Molecular Function

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Biological Process

External links

PDB	RCSB:4u7t, PDBe:4u7t, PDBj:4u7t
PDBsum	4u7t
PubMed	25383530
UniProt	Q9Y6K1\|DNM3A_HUMAN DNA (cytosine-5)-methyltransferase 3A (Gene Name=DNMT3A)

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