Structure of PDB 4qbq Chain C Binding Site BS03

Receptor Information
>4qbq Chain C (length=137) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLGSLVYEVRQKCRNIEDICISCGSLNVTLEHPLFVGGMCQNCKNCFLE
CAYQYDDDGYQSYCTICCGGREVLMCGNNNCCRCFCVECVDLLVGPGAAQ
AAIKEDPWNCYMCGHKGTYGLLRRREDWPSRLQMFFA
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 chain4qbq Chain C Residue 702 [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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PDB4qbq Engineering of a histone-recognition domain in a de novo DNA methyltransferase alters the epigenetic landscape of ESCs
Resolution2.406 Å
Binding residue
(original residue number in PDB)		C537 C540 C562
Binding residue
(residue number reindexed from 1)		C64 C67 C89
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.1.1.37: DNA (cytosine-5-)-methyltransferase.
External links
PDB RCSB:4qbq, PDBe:4qbq, PDBj:4qbq
PDBsum4qbq
PubMed
UniProtQ9Y6K1|DNM3A_HUMAN DNA (cytosine-5)-methyltransferase 3A (Gene Name=DNMT3A)

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