Structure of PDB 6za9 Chain T Binding Site BS01

Receptor Information

>6za9 Chain T (length=70) Species: 9940 (Ovis aries)

VPPVQVSPLIKLGRYSALFLGMAYGAKRYNYLKPRAEEERRLAAEEKKKR
DEQKRIERELAEAQEDTILK

Ligand information

• Ligand ID: S12
• InChI: InChI=1S/C24H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h9-10,21-22,26H,2-8,11-20,25H2,1H3,(H,28,29)(H,30,31)/t21-,22-/m0/s1
• InChIKey: JZWNYZVVZXZRRH-VXKWHMMOSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)O
  OpenEye OEToolkits 1.7.6: CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O
  CACTVS 3.370: CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O
  CACTVS 3.370: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H](O)CO[P](O)(=O)OC[C@H](N)C(O)=O
  ACDLabs 12.01: O=C(O)C(N)COP(=O)(OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC)O
• Formula: C24 H46 N O9 P
• Name: O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine;
  1-oleoyl-2-hydroxy-sn-glycero-3-phospho-L-serine
• PDB chain: 6za9 Chain T Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6za9 Cryo-EM structure of the entire mammalian F-type ATP synthase.
• Resolution: 3.76 Å
• Binding residue (original residue number in PDB): L70 K71
• Binding residue (residue number reindexed from 1): L69 K70
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0015078 proton transmembrane transporter activity

Biological Process

• GO:0015986 proton motive force-driven ATP synthesis

External links

• PDB: RCSB:6za9, PDBe:6za9, PDBj:6za9
• PDBsum: 6za9
• PubMed: 32929284
• UniProt: W5PF18