Structure of PDB 3av5 Chain A Binding Site BS04

Receptor Information
>3av5 Chain A (length=1139) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKCPECGQHLDDPNLKYQQHPEDAVDEPQMLTSEKLSTYEDSPMHRFTSF
SVYCSRGHLCPVDTGLIEKNVELYFSGCAKAIHDENPSMEGGINGKNLGP
INQWWLSGFDGGEKVLIGFSTAFAEYILMEPSKEYEPIFGLMQEKIYISK
IVVEFLQNNPDAVYEDLINKIETTVPPSTINVNRFTEDSLLRHAQFVVSQ
VESYDEAKDDDETPIFLSPCMRALIHLAGVSLGQRRATRPTKATTTKLVY
QIFDTFFSEQIEKRRRCGVCEVCQQPECGACLKRRCPNLAVKEADDDEEA
DDEMPSPKKLHQGKKKKQNKDRISWLGQPMKIERTYYQKVSIDEEMLEVG
DCVSVIPDDSSKPLYLARVTALWEDKNGQMMFHAHWFCAGTDTVLGATSD
PLELFLVGECENMQLSYIHSKVKVIYKAPSENWAMEGGKTYFFQLWYNQE
YARFESPPKTQPTEDNKHKFCLSCIRLAELRQKEMPKVLEQIEEVDGRVY
CSSITKNGVVYRLGDSVYLPPEAFTFNIKVKKDPVNETLYPEHYRKYSLD
APEPYRIGRIKEIHCGKKKGKVNEADIKLRLYKFYRPENTHRSYNGSYHT
DINMLYWSDEEAVVNFSDVQGRCTVEYGEDLLESIQDYSQGGPDRFYFLE
AYNSKTKNFEDPPNHARSKLPKLRTLDVFSGCGGLSEGFHQAGISETLWA
IEMWDPAAQAFRLNNPGTTVFTEDCNVLLKLVMAGEVTNSLGQRLPQKGD
VEMLCGGPPCQGFSGMNRFNSRTYSKFKNSLVVSFLSYCDYYRPRFFLLE
NVRNFVSYRRSMVLKLTLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIIL
AAAPGEKLPLFPEPLHVFAPRACQLSVVVDDKKFVSNITRLSSGPFRTIT
VRDTMSDLPEIQNGASNSEIPYNGEPLSWFQRQLRGSHYQPILRDHICKD
MSPLVAARMRHIPLFPGSDWRDLPNIQVRLGDGVIAHKLQYTFHDVKNGY
SSTGALRGVCSCAEGKACDPESRQFSTLIPWCLPHTGNRHNHWAGLYGRL
EWDGFFSTTVTNPEPMGKQGRVLHPEQHRVVSVRECARSQGFPDSYRFFG
NILDRHRQVGNAVPPPLAKAIGLEIKLCLLSSARESASA
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 chain3av5 Chain A Residue 2005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3av5 Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1).
Resolution3.25 Å
Binding residue
(original residue number in PDB)		C1479 C1481 C1487 H1504
Binding residue
(residue number reindexed from 1)		C1010 C1012 C1018 H1035
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C1229 E1269 R1313 R1315
Catalytic site (residue number reindexed from 1) C760 E800 R844 R846
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:3av5, PDBe:3av5, PDBj:3av5
PDBsum3av5
PubMed21518897
UniProtP13864|DNMT1_MOUSE DNA (cytosine-5)-methyltransferase 1 (Gene Name=Dnmt1)

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