Structure of PDB 3qku Chain A Binding Site BS02

Receptor Information
>3qku Chain A (length=359) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLERVTVKNFRSHSDTVVEFKEGINLIIGQNGSGKSSLLDAILVGLYWP
LRIKDIKKDEFTKVGARDTYIDLIFEKDGTKYRITRRFLKGYSSGEIHAM
KRLVGNEWKHVTEPSSKAISAFMEKLIPYNIFLNAIYIRQGQIDAILESD
EAREKVVREVLNLDKFETAYKKLSELKKTINNRIKEYGGSGGIKDLEKAK
DFTEELIEKVKKYKALAREAALSKIGELASEIFAEFTEGKYSEVVVRAEE
NKVRLFVVWEGKERPLTFLSGGERIALGLAFRLAMSLYLAGEISLLILDE
PTPYLDEERRRKLITIMERYLKKIPQVILVSHDEELKDAADHVIRISLEN
GSSKVEVVS
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 chain3qku Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3qku ABC ATPase signature helices in Rad50 link nucleotide state to Mre11 interface for DNA repair.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		S37 Q140
Binding residue
(residue number reindexed from 1)		S37 Q140
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.-.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006302 double-strand break repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3qku, PDBe:3qku, PDBj:3qku
PDBsum3qku
PubMed21441914
UniProtP58301|RAD50_PYRFU DNA double-strand break repair Rad50 ATPase (Gene Name=rad50)

[Back to BioLiP]