Structure of PDB 5gut Chain A Binding Site BS03

Receptor Information
>5gut Chain A (length=794) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIEENRTYYQKVSIDEEMLEVGDCVSVIPDDSSKPLYLARVTALWEDKN
GQMMFHAHWFCAGTDTVLGATSDPLELFLVGECENMQLSYIHSKVKVIYK
APSENWAMEGYFFQLWYNQEYARFESPPKTQPHKFCLSCIRLAELRQKEM
PKVLEQIEEVDGRVYCSSITKNGVVYRLGDSVYLPPEAFTFNIKVASPDP
VNETLYPEHYRKYDAPEPYRIGRIKEIHCGKKKGKVNEADIKLRLYKFYR
PENTHRSYNGSYHTDINMLYWSDEEAVVNFSDVQGRCTVEYGEDLLESIQ
DYSQGGPDRFYFLEAYNSKTKNFEDPPNHARSPLPKLRTLDVFSGCGGLS
EGFHQAGISETLWAIEMWDPAAQAFRLNNPGTTVFTEDCNVLLKLVMAGE
VTNSLGQRLPQKGDVEMLCGGPPCQGFSGMNRFNSRTYSKFKASLVVSFL
SYCDYYRPRFFLLENVRNFVSYRRSMVLKLTLRCLVRMGYQCTFGVLQAG
QYGVAQTRRRAIILAAAPGEKLPLFPEPLHVFAPRACQLSVVVDDKKFVS
NITRLSSGPFRTITVRDTMSDLPEIQNGASNSEIPYNGEPLSWFQRQLRG
SHYQPILRDHICKDMSPLVAARMRHIPLFPGSDWRDLPNIQVRLGDGVIA
HKLQYTFHDVKNGYSSTGALRGVCSCAEGKACDPESRQFSTLIPWCLPHT
GNRHNHWAGLYGRLEWDGFFSTTVTNPEPMGKQGRVLHPEQHRVVSVREC
ARSQGFPDSYRFFGNILDRHRQVGNAVPPPLAKAIGLEIKLCLL
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 chain5gut Chain A 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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PDB5gut Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
Resolution2.099 Å
Binding residue
(original residue number in PDB)		C1479 C1481 C1487 H1504
Binding residue
(residue number reindexed from 1)		C674 C676 C682 H699
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C1229 E1269 R1313 R1315
Catalytic site (residue number reindexed from 1) C424 E464 R508 R510
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:5gut, PDBe:5gut, PDBj:5gut
PDBsum5gut
PubMed29381856
UniProtP13864|DNMT1_MOUSE DNA (cytosine-5)-methyltransferase 1 (Gene Name=Dnmt1)

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