Structure of PDB 3pt6 Chain B Binding Site BS05

Receptor Information
>3pt6 Chain B (length=915) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMKRRRCGVCEVCQQPECGKCKACKDMVKFGGTGRSKQACLKRRCPNLAV
KEADDDEEADDDVSEMPSPKKLHQGKKKKQNKDRISWLGQPMKIEENRTY
YQKVSIDEEMLEVGDCVSVIPDDSSKPLYLARVTALWEDKNGQMMFHAHW
FCAGTDTVLGATSDPLELFLVGECENMQLSYIHSKVKVIYKAPSENWAME
GGDGKTYFFQLWYNQEYARFESPPKTQPTEDNKHKFCLSCIRLAELRQKE
MPKVLEQIEEVDGRVYCSSITKNGVVYRLGDSVYLPPEAFTFNIKVASPV
KRPKKDPVNETLYPEHYRKYSDYIKGSNLDAPEPYRIGRIKEIHCGKKKG
KVNEADIKLRLYKFYRPENTHRSYNGSYHTDINMLYWSDEEAVVNFSDVQ
GRCTVEYGEDLLESIQDYSQGGPDRFYFLEAYNSKTKNFEDPPNHARSPG
NKKLPKLRTLDVFSGCGGLSEGFHQAGISETLWAIEMWDPAAQAFRLNNP
GTTVFTEDCNVLLKLVMAGEVTNSLGQRLPQKGDVEMLCGGPPCQGFSGM
NRFNSRTYSKFKNSLVVSFLSYCDYYRPRFFLLENVRNFVSYRRSMVLKL
TLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIILAAAPGEKLPLFPEPLH
VFAPRACQLSVVVDDKKFVSNITRLSSGPFRTITVRDTMSDLPEIQNGAS
NSEIPYNGEPLSWFQRQLRGSHYQPILRDHICKDMSPLVAARMRHIPLFP
GSDWRDLPNIQVRLGDGVIAHKLQYTFHDVKNGYSSTGALRGVCSCAEGK
ACDPESRQFSTLIPWCLPHTGNRHNHWAGLYGRLEWDGFFSTTVTNPEPM
GKQGRVLHPEQHRVVSVRECARSQGFPDSYRFFGNILDRHRQVGNAVPPP
LAKAIGLEIKLCLLS
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 chain3pt6 Chain B Residue 2 [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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PDB3pt6 Structure of DNMT1-DNA complex reveals a role for autoinhibition in maintenance DNA methylation.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C659 C662 C694
Binding residue
(residue number reindexed from 1)		C10 C13 C45
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.37: DNA (cytosine-5-)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003682 chromatin binding
GO:0008168 methyltransferase activity
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:3pt6, PDBe:3pt6, PDBj:3pt6
PDBsum3pt6
PubMed21163962
UniProtP13864|DNMT1_MOUSE DNA (cytosine-5)-methyltransferase 1 (Gene Name=Dnmt1)

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