Structure of PDB 3ug7 Chain D Binding Site BS02

Receptor Information

>3ug7 Chain D (length=301) Species: 243232 (Methanocaldococcus jannaschii DSM 2661)

TKYIMFGGKGGVGKTTMSAATGVYLAEKGLKVVIVSTDPAHSLRDIFEQE
FGHEPTKVKGYDNLYVVEIDPQKAMEEYKEKLKAQIEENPFLGEMLEDQL
EMAALSPGTDESAAFDVFLKYMDSNEFDVVIFDTAPTGHTLRFLGMPEVM
DKYMTKLIKLRKQMSGFMKMMKKLLPFDYDKMLEELEKMKERIVRARNIL
SDPERTAFRLVVIPEEMSILESERAMKALQKYGIPIDAVIVNQLIPEDVQ
CDFCRARRELQLKRLEMIKEKFGDKVIAYVPLLRTEAKGIETLKQIAKIL
Y

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: 3ug7 Chain D Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ug7 Tail-anchor targeting by a Get3 tetramer: the structure of an archaeal homologue.
• Resolution: 2.901 Å
• Binding residue (original residue number in PDB): T40 D63
• Binding residue (residue number reindexed from 1): T15 D38
• 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): G11 G13 K14 T15 T16 D38
• 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:3ug7, PDBe:3ug7, PDBj:3ug7
• PDBsum: 3ug7
• PubMed: 22124326
• UniProt: Q58542|ARSA_METJA Putative arsenical pump-driving ATPase (Gene Name=MJ1142)