Structure of PDB 8ba5 Chain A Binding Site BS03

Receptor Information

>8ba5 Chain A (length=134) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GSRERLVYEVRQKCRNIEDICISCGSLNVTLEHPLFVGGMCQNCKNCFLE
CAYQYDDDGYQSYCTICCGGREVLMCGNNNCCRCFCVECVDLLVGPGAAQ
AAIDPWNCYMCGHKGTYGLLRRREDWPSRLQMFF

Ligand information

InChI=1S/Zn/q+2

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Zn

Name

ZINC ION

PDB chain

8ba5 Chain A Residue 705 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	8ba5 The MECP2-TRD domain interacts with the DNMT3A-ADD domain at the H3-tail binding site.
Resolution	1.45 Å
Binding residue (original residue number in PDB)	C549 C554 C583 C586
Binding residue (residue number reindexed from 1)	C76 C81 C108 C111
Annotation score	1

Enzymatic activity

Enzyme Commision number

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

External links

PDB	RCSB:8ba5, PDBe:8ba5, PDBj:8ba5
PDBsum	8ba5
PubMed	36519786
UniProt	Q9Y6K1\|DNM3A_HUMAN DNA (cytosine-5)-methyltransferase 3A (Gene Name=DNMT3A)

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