Structure of PDB 6tuu Chain C Binding Site BS01

Receptor Information
>6tuu Chain C (length=225) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATIGRISTGSKSLDKLLGGGIETQAITEVFGEFGSGKTQLAHTLAVMVQL
PPEEGGLNGSALYIDTENTFRPERLREIAQNRGLDPDEVLANVACARAFN
SNHQMLLVQQAEDMIKELLNTDRPVKLLIVDSLTSHFRSEYIGRGALAER
QQKLAKHLADLHRLANLYDIAVFVTNQVGGHILAHSATLRVYLRKGKGGK
RIARLIDHLPEGEAVFSITEKGIED
Ligand information
Ligand IDNY5
InChIInChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,12,13)
InChIKeyRSWXAGBBPCRION-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1C(=O)O)CCCC2
CACTVS 3.385OC(=O)c1ccc2CCCCc2c1
FormulaC11 H12 O2
Name5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000004219010
PDB chain6tuu Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tuu Development of dedicated crystallographic systems for structure-guided drug discovery
Resolution1.74 Å
Binding residue
(original residue number in PDB)		A201 A203 L214 M221
Binding residue
(residue number reindexed from 1)		A94 A96 L107 M114
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:6tuu, PDBe:6tuu, PDBj:6tuu
PDBsum6tuu
PubMed
UniProtO74036|RADA_PYRFU DNA repair and recombination protein RadA (Gene Name=radA)

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