Structure of PDB 6rai Chain B Binding Site BS03

Receptor Information

>6rai Chain B (length=573) Species: 274 (Thermus thermophilus)

GRSAAPLLRRLWPYVGRYRWRYLWAVLAGLVSIFFFVLTPYFLRLAVDAV
QAGRGFGVYALAIVASAALSGLLSYAMRRLAVVASRQVEYDLRRDLLHHL
LTLDRDFYHKHRVGDLMNRLNTDLSAVREMVGPGILMGSRLSFLVLLAFL
SMYAVNARLAFYLTLILPGIFLAMRFLLRLIDRRYREAQEVFDRISTLAQ
EAFSGIRVVKGYALERRMVAWFQDLNRLYVEKSLALARVEGPLHALLGFL
MGFAFLTVLWAGGAMVVRGELSVGELVQFNAYLAQLTWPILGLGWVMALY
QRGLTSLRRLFELLDEKPAIRDEDPLPLALEDLSGEVRFEGVGLKRDGRW
LLRGLTLTIPEGMTLGITGRTGSGKSLLAALVPRLLDPSEGRVYVGGHEA
RRIPLAVLRKAVGVAPQEPFLFSETILENIAFGLDEVDRERVEWAARLAG
IHEEILAFPKGYETVLGERGITLSGGQRQRVALARALAKRPKILILDDAL
SAVDAETEARILQGLKTVLGKQTTLLISHRTAALRHADWIIVLDGGRIVE
EGTHESLLQAGGLYAEMDRLQKE

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: 6rai Chain B Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6rai Conformation space of a heterodimeric ABC exporter under turnover conditions.
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): S378 Q419
• Binding residue (residue number reindexed from 1): S376 Q417
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0016887 ATP hydrolysis activity
• GO:0034040 ATPase-coupled lipid transmembrane transporter activity
• GO:0140359 ABC-type transporter activity

Biological Process

• GO:0006869 lipid transport
• GO:0055085 transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6rai, PDBe:6rai, PDBj:6rai
• PDBsum: 6rai
• PubMed: 31316210
• UniProt: Q72J04