Structure of PDB 8kgr Chain B Binding Site BS03

Receptor Information
>8kgr Chain B (length=778) Species: 10497 (African swine fever virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDKYTRARNAGGKRAQDCMLLAAEGDSALSLLRTGLTLGKSNPSGPSFDF
CGMISLGGVIMNACKKVTNITTDSGETIMVRNEQLTNNKVLQGIVQVLGL
DFNCHYKTQEERAKLRYGCIVACVDQDLDGCGKILGLLLAYFHLFWPQLI
IHGFVKRLLTPLIRVYEKGKTMPVEFYYEQEFDAWAKKQTSLANHTVKYY
KGLAAHDTHEVKSMFKHFDNMVYTFTLDDSAKELFHIYFGGESELRKREL
CTGVVPLTETQTQSIHSVRRIPCSLHLQVDTKAYKLDAIERQIPNFLDGM
TRARRKILAGGVKCFASNNRERKVFQFGGYVADHMFYHHGDMSLNTSIIK
AAQYYPGSSHLYPVFIGIGSFGSRHLGGKDAGSPRYISVQLASEFIKTMF
PAEDSWLLPYVFEDGQRAEPEYYVPVLPLAIMEYGANPSEGWKYTTWARQ
LEDILALVRAYVDKDNPKHELLHYAIKHKITILPLRPSNYNFKGHLKRFG
QYYYSYGTYVISEQRNIITITELPLRVPTVAYIESIKKSSNRMTFIEEII
DYSSSETIEILVKLKPNSLNRIVEEFKETEEQDSIENFLRLRNCLHSHLN
FVKPKGGIIEFNTYYEILYAWLPYRRELYQKRLMREHAVLKLRIIMETAI
VRYINESAELNLSHYEDEKEASRILSEHGFPPLNHTLIISPEFASIEELN
QKALQGCYTYILSLQARELLIAAKTRRVEKIKKMQARLDKVEQLLQESPF
PGASVWLEEIDAVEKAIIKGRNTQWKFH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8kgr Chain B Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8kgr Structure of African swine fever virus topoisomerase II in complex with dsDNA
Resolution3.2 Å
Binding residue
(original residue number in PDB)		D539 D541
Binding residue
(residue number reindexed from 1)		D125 D127
Annotation score4
Enzymatic activity
Enzyme Commision number 5.6.2.2: DNA topoisomerase (ATP-hydrolyzing).
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003918 DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
GO:0005524 ATP binding
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0000819 sister chromatid segregation
GO:0006259 DNA metabolic process
GO:0006265 DNA topological change
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8kgr, PDBe:8kgr, PDBj:8kgr
PDBsum8kgr
PubMed38816407
UniProtA0A2X0THW2

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