Structure of PDB 6qv1 Chain C Binding Site BS02

Receptor Information

>6qv1 Chain C (length=569) Species: 243274 (Thermotoga maritima MSB8)

KTLARYLKPYWIFAVLAPLFMVVEVICDLSQPTLLARIVAEGIARGDFSL
VLKTGILMLIVALIGAVGGIGCTVFASYASQNFGADLRRDLFRKVLSFSI
SNVNRFHTSSLITRLTNDVTQLQNLVMMLLRIVVRAPLLFVGGIVMAVSI
NVKLSSVLIFLIPPIVLLFVWLTKKGNPLFRKIQESTDEVNRVVRENLLG
VRVVRAFRREEYENENFRKANESLRRSIISAFSLIVFALPLFIFIVNMGM
IAVLWFGGVLVRNNQMEIGSIMAYTNYLMQIMFSLMMIGNILNFIVRASA
SAKRVLEVLNEKPAIEEADNALALPNVEGSVSFENVEFRYFENTDPVLSG
VNFSVKPGSLVAVLGETGSGKSTLMNLIPRLIDPERGRVEVDELDVRTVK
LKDLRGHISAVPQETVLFSGTIKENLKWGREDATDDEIVEAAKIAQIHDF
IISLPEGYDSRVERGGRNFSGGQKQRLSIARALVKKPKVLILDDCTSSVD
PITEKRILDGLKRYTKGCTTFIITQKIPTALLADKILVLHEGKVAGFGTH
KELLEHCKPYREIYESQFG

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: 6qv1 Chain C Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qv1 The extracellular gate shapes the energy profile of an ABC exporter.
• Resolution: 3.48 Å
• Binding residue (original residue number in PDB): S373 Q414
• Binding residue (residue number reindexed from 1): S372 Q413
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0016887 ATP hydrolysis activity
• GO:0042626 ATPase-coupled transmembrane transporter activity
• GO:0046872 metal ion binding
• GO:0140359 ABC-type transporter activity

Biological Process

• GO:0055085 transmembrane transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:6qv1, PDBe:6qv1, PDBj:6qv1
• PDBsum: 6qv1
• PubMed: 31113958
• UniProt: Q9WYC3