Structure of PDB 8c3n Chain A Binding Site BS03

Receptor Information
>8c3n Chain A (length=214) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRISTGSKSLDKLLGGGIETQAITEVFGEFGSGKTQLAHTLAVMVQLPPE
EGGLNGSAMYIDTENTFRPERLREIAQNRGLDPDEVLDNVAYARAFNSNH
QMQLLYQASAMMVESLTDRPYKLLIVDSLTSHFRSEYIGRGALAERQQKL
ARFLRMLHRLANEFDIAVFVTNQATLRVYLRKGKGGKRIARLIDAPHLPE
GEAVFSITEKGIED
Ligand information
Ligand IDRF6
InChIInChI=1S/C8H13N3/c1-3-6-5-7(4-2)11-8(9)10-6/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyWWRMBPPGHZDJNZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1cc(nc(n1)N)CC
CACTVS 3.385CCc1cc(CC)nc(N)n1
FormulaC8 H13 N3
Name4,6-diethylpyrimidin-2-amine;
4,6-bis(ethenyl)pyrimidin-2-amine (precursor);
4,6-Divinylpyrimidin-2-amine (precursor);
peptide staple
ChEMBL
DrugBank
ZINC
PDB chain8c3n Chain B Residue 2301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c3n A Recombinant Approach For Stapled Peptide Discovery Yields Inhibitors of the RAD51 Recombinase
Resolution1.21 Å
Binding residue
(original residue number in PDB)		Q213 Q217
Binding residue
(residue number reindexed from 1)		Q103 Q107
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003684 damaged DNA binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016887 ATP hydrolysis activity
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0006259 DNA metabolic process
GO:0006281 DNA repair
GO:0006310 DNA recombination

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Molecular Function
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Biological Process
External links
PDB RCSB:8c3n, PDBe:8c3n, PDBj:8c3n
PDBsum8c3n
PubMed38075664
UniProtO74036|RADA_PYRFU DNA repair and recombination protein RadA (Gene Name=radA)

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