Structure of PDB 7xi9 Chain A Binding Site BS05

Receptor Information
>7xi9 Chain A (length=869) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPTKATTTKLVYQIFDTFFAEQIEKDRCGVCEVCQQPECGKCKACKDMVK
FGGSGRSKQACQERRCPNMAMTLEVGDCVSVIPDDSSKPLYLARVTALWE
DSSNGQMFHAHWFCAGTDTVLGATSDPLELFLVDECEDMQLSYIHSKVKV
IYKAPSENWAMEGGMGKTYFYQLWYDQDYARFESPPKTQPKFCVSCARLA
EMRQKEIPRVLEQLEDLDSRVLYYSATKNGILYRVGDGVYLPPEAFTFNI
KLPVDEDLYPEHYRKYSDYIKGSNLDAPEPYRIGRIKEIFCPKKSNGRPN
ETDIKIRVNKFYRPENTHKSTPASYHADINLLYWSDEEAVVDFKAVQGRC
TVEYGEDLPECVQVYSMGGPNRFYFLEAYNAKSKSFEDPPNHARSLPKLR
TLDVFSGCGGLSEGFHQAGISDTLWAIEMWDPAAQAFRLNNPGSTVFTED
CNILLKLVMAGETTNSRGQRLPQKGDVEMLCGGPPCQGFSGMNRFNSRTY
SKFKNSLVVSFLSYCDYYRPRFFLLENVRNFVSFKRSMVLKLTLRCLVRM
GYQCTFGVLQAGQYGVAQTRRRAIILAAAPGEKLPLFPEPLHVFAPRACQ
LSVVVDDKKFVSNITRLSSGPFRTITVRDTMSDLPEVRNGASALEISYNG
EPQSWFQRQLRGAQYQPILRDHICKDMSALVAARMRHIPLAPGSDWRDLP
NIEVRLSDGTMARKLRYTHHDRKNGRSSSGALRGVCSCVEAGKACDPAAR
QFNTLIPWCLPHTGNRHNHWAGLYGRLEWDGFFSTTVTNPEPMGKQGRVL
HPEQHRVVSVRECARSQGFPDTYRLFGNILDKHRQVGNAVPPPLAKAIGL
EIKLCMLAKARESASAKIK
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 chain7xi9 Chain A Residue 1703 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xi9 Structural basis for activation of DNMT1.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		C656 C659 C691
Binding residue
(residue number reindexed from 1)		C31 C34 C66
Annotation score1
Enzymatic activity
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

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7xi9, PDBe:7xi9, PDBj:7xi9
PDBsum7xi9
PubMed36414620
UniProtP26358|DNMT1_HUMAN DNA (cytosine-5)-methyltransferase 1 (Gene Name=DNMT1)

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