Structure of PDB 5guv Chain A Binding Site BS02

Receptor Information
>5guv Chain A (length=818) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RISWLGQPMKIEENRTYYQKVSIDEEMLEVGDCVSVIPDDSSKPLYLARV
TALWEDKNGQMMFHAHWFCAGTDTVLGATSDPLELFLVGECENMQLSYIH
SKVKVIYKAPSENWAMEGTYFFQLWYNQEYARFESPPKTQPTEDNKHKFC
LSCIRLAELRQKEMPKVLEQIEEVDGRVYCSSITKNGVVYRLGDSVYLPP
EAFTFNIKVASPVKRPKKDPVNETLYPEHYRKYLDAPEPYRIGRIKEIHC
GKKKGKVNEADIKLRLYKFYRPENTHRSYNGSYHTDINMLYWSDEEAVVN
FSDVQGRCTVEYGEDLLESIQDYSQGGPDRFYFLEAYNSKTKNFEDPPNH
ARSPIKLPKLRTLDVFSGCGGLSEGFHQAGISETLWAIEMWDPAAQAFRL
NNPGTTVFTEDCNVLLKLVMAGEVTNSLGQRLPQKGDVEMLCGGPPCQGF
SGMNRFNSRTYSKFKNSLVVSFLSYCDYYRPRFFLLENVRNFVSYRDSMV
LKLTLRCLVRMGYQCTFGVLQAGQYGVAQTRRRAIILAAAPGEKLPLFPE
PLHVFAPRACQLSVVVDDKKFVSNITRLSSGPFRTITVRDTMSDLPEIQN
GASNSEIPYNGEPLSWFQRQLRGSHYQPILRDHICKDMSPLVAARMRHIP
LFPGSDWRDLPNIQVRLGDGVIAHKLQYTFHDVKNGYSSTGALRGVCSCA
EGKACDPESRQFSTLIPWCLPHTGNRHNHWAGLYGRLEWDGFFSTTVTNP
EPMGKQGRVLHPEQHRVVSVRECARSQGFPDSYRFFGNILDRHRQVGNAV
PPPLAKAIGLEIKLCLLS
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 chain5guv Chain A 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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PDB5guv Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
Resolution3.078 Å
Binding residue
(original residue number in PDB)		H796 C823 C897 C900
Binding residue
(residue number reindexed from 1)		H64 C91 C150 C153
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C1229 E1269 R1313 R1315
Catalytic site (residue number reindexed from 1) C447 E487 R531 R533
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:5guv, PDBe:5guv, PDBj:5guv
PDBsum5guv
PubMed29381856
UniProtP13864|DNMT1_MOUSE DNA (cytosine-5)-methyltransferase 1 (Gene Name=Dnmt1)

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