Structure of PDB 3ug6 Chain B Binding Site BS02

Receptor Information

>3ug6 Chain B (length=303) Species: 243232 (Methanocaldococcus jannaschii DSM 2661)

DGTKYIMFGGKGGVGKTTMSAATGVYLAEKGLKVVIVSTDPAHSLRDIFE
QEFGHEPTKVKGYDNLYVVEIDPQKAMEEYKEKLKAQIEENPFLGEMLED
QLEMAALSPGTDESAAFDVFLKYMDSNEFDVVIFDTAPTGHTLRFLGMPE
VMDKYMTKLIKLRKQMSGFMKMMKKLLPFDYDKMLEELEKMKERIVRARN
ILSDPERTAFRLVVIPEEMSILESERAMKALQKYGIPIDAVIVNQLIPED
VQCDFCRARRELQLKRLEMIKEKFGDKVIAYVPLLRTEAKGIETLKQIAK
ILY

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3ug6 Chain B Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ug6 Tail-anchor targeting by a Get3 tetramer: the structure of an archaeal homologue.
• Resolution: 3.3 Å
• Binding residue (original residue number in PDB): T40 D63
• Binding residue (residue number reindexed from 1): T17 D40
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): G36 G38 K39 T40 T41 D63
• Catalytic site (residue number reindexed from 1): G13 G15 K16 T17 T18 D40
• Enzyme Commision number: 7.3.2.7: arsenite-transporting ATPase.

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0015446 ATPase-coupled arsenite transmembrane transporter activity
• GO:0016887 ATP hydrolysis activity
• GO:0042802 identical protein binding

Biological Process

• GO:0046685 response to arsenic-containing substance
• GO:0071722 detoxification of arsenic-containing substance

External links

• PDB: RCSB:3ug6, PDBe:3ug6, PDBj:3ug6
• PDBsum: 3ug6
• PubMed: 22124326
• UniProt: Q58542|ARSA_METJA Putative arsenical pump-driving ATPase (Gene Name=MJ1142)