Structure of PDB 6tv3 Chain A Binding Site BS01

Receptor Information
>6tv3 Chain A (length=219) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATIGRISTGSKSLDKLLGGGIETQAITEVFGEFGSGKTQLAHTLAVMVQL
PPEEGGLNGSVMWIDTENTFRPERIREIAQNRGLDPDEVLKHIAYARAFN
SNHQMLLVQQAEDMIKELLNTDRPVKLLIVDSLTSHFRSEYIGRGALAER
QQKLAKHLADLHRLANLYDIAVFVTNQVATLRVYLRKGKGGKRIARLIDA
PHLPEGEAVFSITEKGIED
Ligand information
Ligand IDNYE
InChIInChI=1S/C11H9NO2/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6H,12H2,(H,13,14)
InChIKeyXFXOLBNQYFRSLQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2cc(c(cc2c1)C(=O)O)N
CACTVS 3.385Nc1cc2ccccc2cc1C(O)=O
FormulaC11 H9 N O2
Name3-azanylnaphthalene-2-carboxylic acid
ChEMBLCHEMBL1935084
DrugBank
ZINCZINC000000336737
PDB chain6tv3 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tv3 A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		M169 I171 A201 Y202 A203
Binding residue
(residue number reindexed from 1)		M62 I64 A94 Y95 A96
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6tv3, PDBe:6tv3, PDBj:6tv3
PDBsum6tv3
PubMed33662256
UniProtO74036|RADA_PYRFU DNA repair and recombination protein RadA (Gene Name=radA)

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