Structure of PDB 2c3e Chain A Binding Site BS03

Receptor Information
>2c3e Chain A (length=293) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDQALSFLKDFLAGGVAAAISKTAVAPIERVKLLLQVQHASKQISAEKQY
KGIIDCVVRIPKEQGFLSFWRGNLANVIRYFPTQALNFAFKDKYKQIFLG
GVDRHKQFWRYFAGNLASGGAAGATSLCFVYPLDFARTRLAADVGKGAAQ
REFTGLGNCITKIFKSDGLRGLYQGFNVSVQGIIIYRAAYFGVYDTAKGM
LPDPKNVHIIVSWMIAQTVTAVAGLVSYPFDTVRRRMMMQSGRKGADIMY
TGTVDCWRKIAKDEGPKAFFKGAWSNVLRGMGGAFVLVLYDEI
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 chain2c3e Chain A Residue 801 [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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PDB2c3e Structural Basis for Lipid-Mediated Interactions between Mitochondrial Adp/ATP Carrier Monomers.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G52 I53 I54 L225 F270 G272 A273 W274 S275
Binding residue
(residue number reindexed from 1)		G52 I53 I54 L225 F270 G272 A273 W274 S275
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005471 ATP:ADP antiporter activity
GO:0015297 antiporter activity
GO:0017077 oxidative phosphorylation uncoupler activity
Biological Process
GO:0015866 ADP transport
GO:0046902 regulation of mitochondrial membrane permeability
GO:0055085 transmembrane transport
GO:0140021 mitochondrial ADP transmembrane transport
GO:1901029 negative regulation of mitochondrial outer membrane permeabilization involved in apoptotic signaling pathway
GO:1901526 positive regulation of mitophagy
GO:1902600 proton transmembrane transport
GO:1990544 mitochondrial ATP transmembrane transport
GO:1990845 adaptive thermogenesis
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005757 mitochondrial permeability transition pore complex
GO:0031966 mitochondrial membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2c3e, PDBe:2c3e, PDBj:2c3e
PDBsum2c3e
PubMed16226253
UniProtP02722|ADT1_BOVIN ADP/ATP translocase 1 (Gene Name=SLC25A4)

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