Structure of PDB 8ba5 Chain A Binding Site BS01

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
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8ba5 Chain A Residue 703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8ba5 The MECP2-TRD domain interacts with the DNMT3A-ADD domain at the H3-tail binding site.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		C494 C497 C514 C517
Binding residue
(residue number reindexed from 1)		C21 C24 C41 C44
Annotation score1
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
PDBsum8ba5
PubMed36519786
UniProtQ9Y6K1|DNM3A_HUMAN DNA (cytosine-5)-methyltransferase 3A (Gene Name=DNMT3A)

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