Structure of PDB 8ak4 Chain A Binding Site BS02

Receptor Information
>8ak4 Chain A (length=513) Species: 1299 (Deinococcus radiodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPVTHPTQMTSLDNVFDDDELRDWQEKLARSLGLPLDTDDFTFTGELKID
GLSVNLYYLDGELQWAATRGNGRVGEIVTAQVLTIPDIPQKLEGLKGELE
VRGEVYLSRADFAAFNAQAEELGTPLLKNPRNGAAGALRQKDPEVTRTRH
LKAILYAVGKRDGVPARTQWEVLEWLSAQGFPTSRSSEHLRGIAAAADYH
ARMIRAHADFEFDADGTVLKLDSLSQQEEAGFTSRAPRWAIAYKFPVEEV
ETVLESITVNVGRTGKLAPLAHLSPRLIEGSTVSKATLHNEDYIRDMDLR
VGDTVLVRKSGGVIPQIMRVLPDKRPADAAPFEFPTHCPVCGHEAVRAEG
DANTYCPNPACPAQSFERIRYFVSRGAMDVRGIGEKLVTQLLHEGLIHDA
AGLYTLSAEQLAGLERGGEKKAGNILGQLEASKTKPLWRLINALGMSHVG
QRNAQALARAFGTLEGLLAATPEQIEAVPGLGGIIAQSVTASLADPAMRD
LIARLQASGVAPQ
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain8ak4 Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ak4 Structure/function studies of the NAD + -dependent DNA ligase from the poly-extremophile Deinococcus radiodurans reveal importance of the BRCT domain for DNA binding.
Resolution3.36 Å
Binding residue
(original residue number in PDB)		D130 D293 D295
Binding residue
(residue number reindexed from 1)		D50 D213 D215
Annotation score4
Enzymatic activity
Enzyme Commision number 6.5.1.2: DNA ligase (NAD(+)).
Gene Ontology
Molecular Function
GO:0003911 DNA ligase (NAD+) activity
Biological Process
GO:0006260 DNA replication
GO:0006281 DNA repair

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Molecular Function
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Biological Process
External links
PDB RCSB:8ak4, PDBe:8ak4, PDBj:8ak4
PDBsum8ak4
PubMed37712998
UniProtQ9RSQ5|DNLJ_DEIRA DNA ligase (Gene Name=ligA)

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