Structure of PDB 8igw Chain J Binding Site BS02

Receptor Information

>8igw Chain J (length=438) Species: 768486 (Enterococcus hirae ATCC 9790)

RTIKEVVGPLMAVEKVSGVKYEELIEVRMQNGEIRRGQVLEVQEDKAMVQ
IFEGTSGINLKNSSVRFLGHPLQLGVSEDMIGRVFDGLGRPKDNGPEILP
EKYLDINGEVINPIARDYPDEFIQTGISAIDHLNTLVRGQKLPVFGPPGA
GKSALAAQIARQATVLDSSDDFAVVFAAIGITFEEAEFFMEDFRQTGAID
RSVMFMNLANDPAIERIATPRMALTAAEYLAYEKGMHVLVIMEDMTNYAE
ALREISAARREVPGRRGYPGYLYTNLATLFERAGRIRGLKGSVTQIPILT
MPEDDKTHPIPDLTGYITEGQIILTRELYKSGISPPIDVLPSLSRLKDKG
TGAGKTREDHAATMNQLFAAYAQGKQAKELLGESALSDIDKIYAKFAERF
ENEYVNQGFYTNRTITETLDLGELLAMLPRTELKRIKD

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: 8igw Chain J Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8igw Design of allosteric sites into rotary motor V 1 -ATPase by restoring lost function of pseudo-active sites.
• Resolution: 4.2 Å
• Binding residue (original residue number in PDB): S158 E190 E248
• Binding residue (residue number reindexed from 1): S153 E185 E243
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0016887 ATP hydrolysis activity
• GO:0046933 proton-transporting ATP synthase activity, rotational mechanism

Biological Process

• GO:0006814 sodium ion transport
• GO:0042777 proton motive force-driven plasma membrane ATP synthesis
• GO:0046034 ATP metabolic process
• GO:1902600 proton transmembrane transport

External links

• PDB: RCSB:8igw, PDBe:8igw, PDBj:8igw
• PDBsum: 8igw
• PubMed: 37414880
• UniProt: Q08637|NTPB_ENTHA V-type sodium ATPase subunit B (Gene Name=ntpB)