Structure of PDB 4ncj Chain B Binding Site BS05

Receptor Information
>4ncj Chain B (length=311) 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
EAREKVVREVLNLDYKALAREAALSKIGELASEIFAEFTEGKYSEVVVRA
EENKVRLFVVWEGKERPLTFLSGGERIALGLAFELAMSLYLAGEISLLIL
DEPTPYLDEERRRKLITIMERYLKKIPQVILVSHDEELKDAADHVIRISL
ENGSSKVEVVS
Ligand information
Ligand IDBEF
InChIInChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3
InChIKeyOGIAHMCCNXDTIE-UHFFFAOYSA-K
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[Be-](F)(F)F
ACDLabs 10.04
CACTVS 3.341		F[Be-](F)F
FormulaBe F3
NameBERYLLIUM TRIFLUORIDE ION
ChEMBL
DrugBank
ZINC
PDB chain4ncj Chain D Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		S793 G794 G795
Binding residue
(residue number reindexed from 1)		S222 G223 G224
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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