Structure of PDB 3a1a Chain A Binding Site BS02

Receptor Information
>3a1a Chain A (length=132) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSRERLVYEVRQKCRNIEDICISCGSLNVTLEHPLFVGGMCQNCKNCFLE
CAYQYDDDGYQSYCTICCGGREVLMCGNNNCCRCFCVECVDLLVGPGAAQ
AAIWNCYMCGHKGTYGLLRRREDWPSRLQMFF
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 chain3a1a Chain A Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a1a Structural basis for recognition of H3K4 methylation status by the DNA methyltransferase 3A ATRX-DNMT3-DNMT3L domain
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C537 C540 C559 C562
Binding residue
(residue number reindexed from 1)		C64 C67 C86 C89
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.1.1.37: DNA (cytosine-5-)-methyltransferase.
External links
PDB RCSB:3a1a, PDBe:3a1a, PDBj:3a1a
PDBsum3a1a
PubMed19834512
UniProtQ9Y6K1|DNM3A_HUMAN DNA (cytosine-5)-methyltransferase 3A (Gene Name=DNMT3A)

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