Structure of PDB 3epz Chain B Binding Site BS01

Receptor Information
>3epz Chain B (length=223) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRFQGPKCIQCGQYLDDPDLKYGQHPPDAVDEPQMLTNELPQHKLTCFSV
YCKHGHLCPIDTGLIEKNIELFFSGSAKPIYDDDEGGVNGKNLGPINEWW
ITKALIGFSTSFAEYILMDPSPEYAPIFGLMQEKIYISKIVVEFLQSNSD
STYEDLINKIETTVPPSGLNLNRFTEDSLLRHAQFVVEQVESYDEAGDQP
IFLTPCMRDLIKLAGVTLGQRRA
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 chain3epz Chain B Residue 701 [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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PDB3epz The replication focus targeting sequence (RFTS) domain is a DNA-competitive inhibitor of Dnmt1.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		C353 C356 H418
Binding residue
(residue number reindexed from 1)		C8 C11 H56
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.37: DNA (cytosine-5-)-methyltransferase.
External links
PDB RCSB:3epz, PDBe:3epz, PDBj:3epz
PDBsum3epz
PubMed21389349
UniProtP26358|DNMT1_HUMAN DNA (cytosine-5)-methyltransferase 1 (Gene Name=DNMT1)

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