Structure of PDB 5dac Chain A Binding Site BS04

Receptor Information
>5dac Chain A (length=432) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKIEKLSILGVRSFGPHHPETIAFNTPLTLIVGYNGSGKTTVIECLKYAT
TGELPPNSTRNGAFIHDPDLVGEKEVRAQVKLSFRSTIGESYVVTRNIQL
LVQRNNKRTQKTLEGSLLLRNNGERTVISTRVAELDKLVSEKLGVPPAIL
DAVIFCHQDDSLWPMSEPAALKKRFDEIFEAQKYTKVIENIRLLKKKKGD
ELKILKEREVQDKANKERAEDLKDAKAKYKETHIKVETTKAAIEDLGRGM
AAVDHAIMQYHSKMMEQINRTIAELWQSTYQGTDIDTIQIRSDVESTTSS
DSGTRRNYNYRVSMVKGDTEMDMRGRCSAGQKVLASIIIRLALAESFCAN
CGLIALDQPTTNLDSDNIRSLAESLHGIIKARQAQGNLQLIVITHDEEFL
KYMQCSDFCDDFYRVKRDEKQNSVIVRESITR
Ligand information
Ligand IDAES
InChIInChI=1S/C8H10FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKeyMGSKVZWGBWPBTF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(F)(=O)c1ccc(cc1)CCN
OpenEye OEToolkits 1.7.6c1cc(ccc1CCN)S(=O)(=O)F
CACTVS 3.370NCCc1ccc(cc1)[S](F)(=O)=O
FormulaC8 H10 F N O2 S
Name4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE;
AEBSF
ChEMBLCHEMBL1096339
DrugBankDB07347
ZINCZINC000008034834
PDB chain5dac Chain A Residue 1403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dac Structural mechanism of ATP-dependent DNA binding and DNA end bridging by eukaryotic Rad50.
Resolution2.503 Å
Binding residue
(original residue number in PDB)		E1225 R1262
Binding residue
(residue number reindexed from 1)		E345 R382
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.-.-
Gene Ontology
Molecular Function
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006302 double-strand break repair

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Molecular Function
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Biological Process
External links
PDB RCSB:5dac, PDBe:5dac, PDBj:5dac
PDBsum5dac
PubMed26896444
UniProtG0SHW7|RAD50_CHATD DNA repair protein RAD50 (Gene Name=RAD50)

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