Structure of PDB 6zmr Chain a Binding Site BS01

Receptor Information
>6zmr Chain a (length=223) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLFASFIAPTMMGLPIVTLIIMFPSLLFPTPKRLINNRTISIQQWLIQLT
SKQMMAIHNQKGQTWSLMLMSLIMFIGSTNILGLLPHSFTPTTQLSMNLG
MAIPLWSATVFTGFRYKTKTSLAHFLPQGTPALLIPMLVIIETISLFIQP
VALAVRLTANITAGHLLIHLIGGATLALLNINTMTAFITFTILILLTILE
FAVALIQAYVFTLLVSLYLHDNT
Ligand information
Ligand IDCDL
InChIInChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/t76-,77-/m1/s1
InChIKeyXVTUQDWPJJBEHJ-KZCWQMDCSA-L
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[C@@H](O)CO[P]([O-])(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(COP(=O)([O-])OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
FormulaC81 H156 O17 P2
NameCARDIOLIPIN;
DIPHOSPHATIDYL GLYCEROL;
BIS-(1,2-DIACYL-SN-GLYCERO-3-PHOSPHO)-1',3'-SN-GLYCEROL
ChEMBL
DrugBank
ZINC
PDB chain6zmr Chain f Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zmr Structure of the dimeric ATP synthase from bovine mitochondria.
Resolution3.94 Å
Binding residue
(original residue number in PDB)		R41 T42 Q46 L49 I84
Binding residue
(residue number reindexed from 1)		R38 T39 Q43 L46 I81
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015078 proton transmembrane transporter activity
GO:0046933 proton-transporting ATP synthase activity, rotational mechanism
Biological Process
GO:0006754 ATP biosynthetic process
GO:0015986 proton motive force-driven ATP synthesis
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045259 proton-transporting ATP synthase complex
GO:0045263 proton-transporting ATP synthase complex, coupling factor F(o)

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6zmr, PDBe:6zmr, PDBj:6zmr
PDBsum6zmr
PubMed32900941
UniProtQ35915|ATP6_PIG ATP synthase subunit a (Gene Name=MT-ATP6)

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