Structure of PDB 4ncj Chain D Binding Site BS05

Receptor Information
>4ncj Chain D (length=321) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLERVTVKNFRSHSDTVVEFKEGINLIIGQNGSGKSSLLDAILVGLYWP
LRIKDIKKDEFTKVGARDTYIDLIFEKDGTKYRITRRFLKGYSSGEIHAM
KRLVGNEWKHVTEPSSKAISAFMEKLIPYNIFLNAIYIRQGQIDAILESD
EAREKVVREVLNLDTEELIEKVKKYKALAREAALSKIGELASEIFAEFTE
GKYSEVVVRAEENKVRLFVVWEGKERPLTFLSGGERIALGLAFELAMSLY
LAGEISLLILDEPTPYLDEERRRKLITIMERYLKKIPQVILVSHDEELKD
AADHVIRISLENGSSKVEVVS
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 chain4ncj Chain D Residue 903 [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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PDB4ncj ATP-driven Rad50 conformations regulate DNA tethering, end resection, and ATM checkpoint signaling.
Resolution2.0 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 ?
Gene Ontology
Molecular Function
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006302 double-strand break repair

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Molecular Function
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Biological Process
External links
PDB RCSB:4ncj, PDBe:4ncj, PDBj:4ncj
PDBsum4ncj
PubMed24493214
UniProtP58301|RAD50_PYRFU DNA double-strand break repair Rad50 ATPase (Gene Name=rad50)

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