Structure of PDB 3aux Chain A Binding Site BS03

Receptor Information
>3aux Chain A (length=348) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSMILKEIRMNNFKSHVNSRIKFEKGIVAIIGENGSGKSSIFEAVFFALF
GAGSNFNYDTIITKGKKSVYVELDFEVNGNNYKIIREYDSGRGGAKLYKN
GKPYATTISAVNKAVNEILGVDRNMFLNSIYIKQGEIAKFLSLKPSEKLE
TVAKLLGIDEFEKCYQKMGEIVKEYEKRLERIEKEKLTKFVEYLDKVRRI
FGRNGFQAYLREKYVPLIQKYLNEAFSEFDLPYSFVELTKDFEVRVHAPN
GVLTIDNLSGGEQIAVALSLRLAIANALIGNRVECIILDEPTVYLDENRR
AKLAEIFRKVKSIPQMIIITHHRELEDVADVIINVKKDGNVSKVKING
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 chain3aux Chain A Residue 1050 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3aux Crystal Structure of the Mre11-Rad50-ATP S Complex:Understanding the Interplay between Mre11 and Rad50
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E947 P948 T949 T977
Binding residue
(residue number reindexed from 1)		E290 P291 T292 T320
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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:3aux, PDBe:3aux, PDBj:3aux
PDBsum3aux
PubMed
UniProtQ58718|RAD50_METJA DNA double-strand break repair Rad50 ATPase (Gene Name=rad50)

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