Structure of PDB 5quj Chain A Binding Site BS01

Receptor Information
>5quj Chain A (length=222) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATIGRISTGSKSLDKLLGGGIETQAITEVFGEFGSGKTQLAHTLAVMVQL
PPEEGGLNGSVMWIDTENTFRPERIREIAQNRGLDPDEVLKHIAYARAFN
SNHQMLLVQQAEDMIKELLNTDRPVKLLIVDSLTSHFRSEYIGALAERQQ
KLAKHLADLHRLANLYDIAVFVTNQVQANGGHILAHSATLRVYLRKGKGG
KRIARLIDGEAVFSITEKGIED
Ligand information
Ligand IDD48
InChIInChI=1S/C10H8O2/c11-9-5-7-3-1-2-4-8(7)6-10(9)12/h1-6,11-12H
InChIKeyJRNGUTKWMSBIBF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1cc2ccccc2cc1O
OpenEye OEToolkits 2.0.6c1ccc2cc(c(cc2c1)O)O
FormulaC10 H8 O2
Namenaphthalene-2,3-diol
ChEMBLCHEMBL205007
DrugBank
ZINCZINC000000388553
PDB chain5quj 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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PDB5quj Optimisation of crystal forms for structure-guided drug discovery
Resolution1.42 Å
Binding residue
(original residue number in PDB)		M169 I171 A201 A203
Binding residue
(residue number reindexed from 1)		M62 I64 A94 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:5quj, PDBe:5quj, PDBj:5quj
PDBsum5quj
PubMed
UniProtO74036|RADA_PYRFU DNA repair and recombination protein RadA (Gene Name=radA)

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