Structure of PDB 7o45 Chain D Binding Site BS01

Receptor Information
>7o45 Chain D (length=84) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASDVANNKSSLEDGCLSCGSFHPLFEGGLCQCTVCCEGRELLLCCVECL
EVLVGTSCYMCLPQRCHGVLRRRKDWNVRLQAFF
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 D Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		C435 S437 C438 C455
Binding residue
(residue number reindexed from 1)		C16 S18 C19 C31
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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