Structure of PDB 5qus Chain A Binding Site BS01

Receptor Information
>5qus 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
QQKLAKHLADLHRLANLYDIAVFVTNQVQILAHSATLRVYLRKGKGGKRI
ARLIDGEAVFSITEKGIED
Ligand information
Ligand IDLZ1
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)5-8-9-7/h1-5H,(H,8,9)
InChIKeyBAXOFTOLAUCFNW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1ncc2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cn[nH]2
ACDLabs 10.04n2cc1ccccc1n2
FormulaC7 H6 N2
Name1H-indazole
ChEMBLCHEMBL86795
DrugBank
ZINCZINC000016052862
PDB chain5qus 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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PDB5qus Optimisation of crystal forms for structure-guided drug discovery
Resolution1.247 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
Binding affinityBindingDB: Kd=1000000nM
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:5qus, PDBe:5qus, PDBj:5qus
PDBsum5qus
PubMed
UniProtO74036|RADA_PYRFU DNA repair and recombination protein RadA (Gene Name=radA)

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