Structure of PDB 7o45 Chain B Binding Site BS03

Receptor Information
>7o45 Chain B (length=141) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DQSREQMASDVANNKSSLEDGCLSCGRKNPVSFHPLFEGGLCQTCRDRFL
ELFYMYDDDGYQSYCTVCCEGRELLLCSNTSCCRCFCVECLEVLVGTGTA
AEAKLQEPWSCYMCLPQRCHGVLRRRKDWNVRLQAFFTSDT
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 chain7o45 Chain B Residue 603 [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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PDB7o45 Structure of the DNMT3B ADD domain suggests the absence of a DNMT3A-like autoinhibitory mechanism.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C490 C495 C524 C527
Binding residue
(residue number reindexed from 1)		C77 C82 C111 C114
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.37: DNA (cytosine-5-)-methyltransferase.
External links
PDB RCSB:7o45, PDBe:7o45, PDBj:7o45
PDBsum7o45
PubMed35760008
UniProtQ9UBC3|DNM3B_HUMAN DNA (cytosine-5)-methyltransferase 3B (Gene Name=DNMT3B)

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