Structure of PDB 3av4 Chain A Binding Site BS03

Receptor Information
>3av4 Chain A (length=1140) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKCPECGQHLDDPNLKYQQHPEDAVDEPQMLTSEKLSYEDSPMHRFTSFS
VYCSRGHLCPVDTGLIEKNVELYFSGCAKAIHDENPSMEGGINGKNLGPI
NQWWLSGFDGGEKVLIGFSTAFAEYILMEPSKEYEPIFGLMQEKIYISKI
VVEFLQNNPDAVYEDLINKIETTVPPSTINVNRFTEDSLLRHAQFVVSQV
ESYDEAKDDDETPIFLSPCMRALIHLAGVSLGQRRATRAPTKATTTKLVY
QIFDTFFSEQIEKRRRCGVCEVCQQPACLKRRCPNLAVKEADDDEEADDE
MPSPKKLHQGKKKKQNKDRISWLGQPMKIERTYYQKVSIDEEMLEVGDCV
SVIPDDSSKPLYLARVTALWEDKNGQMMFHAHWFCAGTDTVLGATSDPLE
LFLVGECENMQLSYIHSKVKVIYKAPSENWAMEGGKTYFFQLWYNQEYAR
FESPPKTQPTEDNKHKFCLSCIRLAELRQKEMPKVLEQIEEVDGRVYCSS
ITKNGVVYRLGDSVYLPPEAFTFNIKVKKDPVNETLYPEHYRKYSLDAPE
PYRIGRIKEIHCGKKKGKVNEADIKLRLYKFYRPENTHRSYNGSYHTDIN
MLYWSDEEAVVNFSDVQGRCTVEYGEDLLESIQDYSQGGPDRFYFLEAYN
SKTKNFEDPPNHARSKLPKLRTLDVFSGCGGLSEGFHQAGISETLWAIEM
WDPAAQAFRLNNPGTTVFTEDCNVLLKLVMAGEVTNSLGQRLPQKGDVEM
LCGGPPCQGFSGMNRFNSRTYSKFKNSLVVSFLSYCDYYRPRFFLLENVR
NFVSYRRSMVLKLTLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIILAAA
PGEKLPLFPEPLHVFAPRACQLSVVVDDKKFVSNITRLSSGPFRTITVRD
TMSDLPEIQNGASNSEIPYNGEPLSWFQRQLRGSHYQPILRDHICKDMSP
LVAARMRHIPLFPGSDWRDLPNIQVRLGDGVIAHKLQYTFHDVKNGYSST
GALRGVCSCAEGKACDPESRQFSTLIPWCLPHTGNRHNHWAGLYGRLEWD
GFFSTTVTNPEPMGKQGRVLHPEQHRVVSVRECARSQGFPDSYRFFGNIL
DRHRQVGNAVPPPLAKAIGLEIKLCLLSSARESASAAVKA
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 chain3av4 Chain A Residue 2004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3av4 Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1).
Resolution2.75 Å
Binding residue
(original residue number in PDB)		H796 C823 C897 C900
Binding residue
(residue number reindexed from 1)		H380 C407 C468 C471
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C1229 E1269 R1313 R1315
Catalytic site (residue number reindexed from 1) C757 E797 R841 R843
Enzyme Commision number 2.1.1.37: DNA (cytosine-5-)-methyltransferase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003682 chromatin binding
GO:0003886 DNA (cytosine-5-)-methyltransferase activity
GO:0008168 methyltransferase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006346 DNA methylation-dependent heterochromatin formation
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3av4, PDBe:3av4, PDBj:3av4
PDBsum3av4
PubMed21518897
UniProtP13864|DNMT1_MOUSE DNA (cytosine-5)-methyltransferase 1 (Gene Name=Dnmt1)

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