Structure of PDB 6w8w Chain B Binding Site BS04

Receptor Information
>6w8w Chain B (length=826) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRISWLGQPMKIEENRTYYQKVSIDEEMLEVGDCVSVIPDDSSKPLYLAR
VTALWEDKNGQMMFHAHWFCAGTDTVLGATSDPLELFLVGECENMQLSYI
HSKVKVIYKAPSENWAMEGGYFFQLWYNQEYARFESPPKTQPTEDNKHKF
CLSCIRLAELRQKEMPKVLEQIEEVDGRVYCSSITKNGVVYRLGDSVYLP
PEAFTFNIKVASPVKRPKKDPVNETLYPEHYRKYSDYIKGSNLDAPEPYR
IGRIKEIHCGKKKGKVNEADIKLRLYKFYRPENTHRSYNGSYHTDINMLY
WSDEEAVVNFSDVQGRCTVEYGEDLLESIQDYSQGGPDRFYFLEAYNSKT
KNFEDPPNHARSPGNIKLPKLRTLDVFSGCGGLSEGFHQAGISETLWAIE
MWDPAAQAFRLNNPGTTVFTEDCNVLLKLVMAGEVTNSLGQRLPQKGDVE
MLCGGPPCQGFSGMNRFNYSKFKNSLVVSFLSYCDYYRPRFFLLENVRNF
VSYRRSMVLKLTLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIILAAAPG
EKLPLFPEPLHVFAPRACQLSVVVDDKKFVSNITRLSSGPFRTITVRDTM
SDLPEIQNGASNSEIPYNGEPLSWFQRQLRGSHYQPILRDHICKDMSPLV
AARMRHIPLFPGSDWRDLPNIQVRLGDGVIAHKLQYTFHDVKNGYSSTGA
LRGVCSCAEGKACDPESRQFSTLIPWCLPHTGNRHNHWAGLYGRLEWDGF
FSTTVTNPEPMGKQGRVLHPEQHRVVSVRECARSQGFPDSYRFFGNILDR
HRQVGNAVPPPLAKAIGLEIKLCLLS
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 chain6w8w Chain B Residue 1702 [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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PDB6w8w DNMT1 activity, base flipping mechanism and genome-wide DNA methylation are regulated by the DNA sequence context
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C1479 C1481 C1487 H1504
Binding residue
(residue number reindexed from 1)		C705 C707 C713 H730
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C1229 E1269 R1313 R1315
Catalytic site (residue number reindexed from 1) C458 E495 R539 R541
Enzyme Commision number 2.1.1.37: DNA (cytosine-5-)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0008168 methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6w8w, PDBe:6w8w, PDBj:6w8w
PDBsum6w8w
PubMed
UniProtP13864|DNMT1_MOUSE DNA (cytosine-5)-methyltransferase 1 (Gene Name=Dnmt1)

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