Structure of PDB 4u9u Chain A Binding Site BS02

Receptor Information

>4u9u Chain A (length=279) Species: 666 (Vibrio cholerae)

VKKWECTVISNDNKATFIKELKLAIPDGESVPFRAGGYIQIEAPAHHVKY
ADFDVPEKYRGDWDKFNLFRYESKVDEPIIRAYSMANYPEEFGIIMLNVR
IATPPPNNPNVPPGQMSSYIWSLKAGDKCTISGPFGEFFAKDTDAEMVFI
GGGAGMAPMRSHIFDQLKRLKSKRKMSYWYGARSKREMFYVEDFDGLAAE
NDNFVWHCALSDPQPEDNWTGYTGFIHNVLYENYLKDHEAPEDCEYYMCG
PPMMNAAVINMLKNLGVEEENILLDDFGG

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: 4u9u Chain A Residue 1503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4u9u Structure of the V. cholerae Na+-pumping NADH:quinone oxidoreductase.
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): K143 Y188 R315 M317
• Binding residue (residue number reindexed from 1): K14 Y59 R186 M188
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 7.2.1.1: NADH:ubiquinone reductase (Na(+)-transporting).

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
• GO:0051537 2 iron, 2 sulfur cluster binding

Biological Process

• GO:0006814 sodium ion transport

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:4u9u, PDBe:4u9u, PDBj:4u9u
• PDBsum: 4u9u
• PubMed: 25471880
• UniProt: Q9X4Q8|NQRF_VIBCH Na(+)-translocating NADH-quinone reductase subunit F (Gene Name=nqrF)