Structure of PDB 6zqn Chain b Binding Site BS01

Receptor Information
>6zqn Chain b (length=209) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVPPLPEHGGKVRFGLIPEEFFQFLYPKTGVTGPYVLGTGLILYLLSKEI
YVITPETFSAISTIGFLVYIVKKYGASVGEFADKLNEQKIAQLEEVKQAS
IKQIQDAIDMEKSQQALVQKRHYLFDVQRNNIAMALEVTYRERLHRVYRE
VKNRLDYHISVQNMMRQKEQEHMINWVEKRVVQSISAQQEKETIAKCIAD
LKLLSKKAQ
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 chain6zqn Chain b Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6zqn Structure of the dimeric ATP synthase from bovine mitochondria.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		F21 F24
Binding residue
(residue number reindexed from 1)		F21 F24
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015078 proton transmembrane transporter activity
Biological Process
GO:0015986 proton motive force-driven ATP synthesis

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Molecular Function
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Biological Process
External links
PDB RCSB:6zqn, PDBe:6zqn, PDBj:6zqn
PDBsum6zqn
PubMed32900941
UniProtP13619|AT5F1_BOVIN ATP synthase F(0) complex subunit B1, mitochondrial (Gene Name=ATP5PB)

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