Structure of PDB 6w8v Chain B Binding Site BS05

Receptor Information
>6w8v Chain B (length=825) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRISWLGQPMKIEENRTYYQKVSIDEEMLEVGDCVSVIPDDSSKPLYLAR
VTALWEDKNGQMMFHAHWFCAGTDTVLGATSDPLELFLVGECENMQLSYI
HSKVKVIYKAPSENWAMEGGTYFFQLWYNQEYARFESPPKTQPTEDNKHK
FCLSCIRLAELRQKEMPKVLEQIEEVDGRVYCSSITKNGVVYRLGDSVYL
PPEAFTFNIKVASPVKRPKKDPVNETLYPEHYRKYSDYIKGSNLDAPEPY
RIGRIKEIHCGKKKGKVNEADIKLRLYKFYRPENTHRSYNGSYHTDINML
YWSDEEAVVNFSDVQGRCTVEYGEDLLESIQDYSQGGPDRFYFLEAYNSK
TKNFEDPPNHARSPGNKLPKLRTLDVFSGCGGLSEGFHQAGISETLWAIE
MWDPAAQAFRLNNPGTTVFTEDCNVLLKLVMAGEVTNSLGQRLPQKGDVE
MLCGGPPCQGFSGMNRFNSKFKNSLVVSFLSYCDYYRPRFFLLENVRNFV
SYRRSMVLKLTLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIILAAAPGE
KLPLFPEPLHVFAPRACQLSVVVDDKKFVSNITRLSSGPFRTITVRDTMS
DLPEIQNGASNSEIPYNGEPLSWFQRQLRGSHYQPILRDHICKDMSPLVA
ARMRHIPLFPGSDWRDLPNIQVRLGDGVIAHKLQYTFHDVKNGYSSTGAL
RGVCSCAEGKACDPESRQFSTLIPWCLPHTGNRHNHWAGLYGRLEWDGFF
STTVTNPEPMGKQGRVLHPEQHRVVSVRECARSQGFPDSYRFFGNILDRH
RQVGNAVPPPLAKAIGLEIKLCLLS
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 chain6w8v Chain B Residue 1703 [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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PDB6w8v DNMT1 activity, base flipping mechanism and genome-wide DNA methylation are regulated by the DNA sequence context
Resolution3.12 Å
Binding residue
(original residue number in PDB)		H796 C823 C897
Binding residue
(residue number reindexed from 1)		H65 C92 C152
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C1229 E1269 R1313 R1315
Catalytic site (residue number reindexed from 1) C458 E494 R538 R540
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:6w8v, PDBe:6w8v, PDBj:6w8v
PDBsum6w8v
PubMed
UniProtP13864|DNMT1_MOUSE DNA (cytosine-5)-methyltransferase 1 (Gene Name=Dnmt1)

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