Structure of PDB 3tho Chain A Binding Site BS02

Receptor Information
>3tho Chain A (length=357) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHMRPERLTVRNFLGLKNVDIEFQSGITVVEGPNGAGKSSLFEAISFALF
GNGIRYPNSYDYVNRNAVDGTARLVFQFERGGKRYEIIREINALQRKHNA
KLSEILENGKKAAIAAKPTSVKQEVEKILGIEHRTFIRTVFLPQGEIDKL
LISPPSEITEIISDVFQSKETLEKLEKLLKEKMKKLENEISSSLEKKLKE
MSDEYNNLDLLRKYLFDKSNFSRYFTGRVLEAVLKRTKAYLDILTNGRFD
IDFDDEKGGFIIKDWGIERPARGLSGGERALISISLAMSLAEVASGRLDA
FFIDEGFSSLCTENKEKIASVLKELERLNKVIVFITCDREFSEAFDRKLR
ITGGVVV
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3tho Chain A Residue 853 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tho ATP driven structural changes of the bacterial Mre11:Rad50 catalytic head complex.
Resolution2.6081 Å
Binding residue
(original residue number in PDB)		S37 E798
Binding residue
(residue number reindexed from 1)		S39 E305
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:3tho, PDBe:3tho, PDBj:3tho
PDBsum3tho
PubMed21937514
UniProtQ9X1X1|RAD50_THEMA DNA double-strand break repair Rad50 ATPase (Gene Name=rad50)

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