Structure of PDB 2dys Chain M Binding Site BS01

Receptor Information
>2dys Chain M (length=43) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITAKPAKTPTSPKEQAIGLSVTFLSFLLPAGWVLYHLDNYKKS
Ligand information
Ligand IDPGV
InChIInChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1
InChIKeyADYWCMPUNIVOEA-GPJPVTGXSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCCCC=CCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCCCC=CCCCCCC
ACDLabs 10.04O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCC\C=C/CCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC\C=C/CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCCCC\C=C/CCCCCC
FormulaC40 H77 O10 P
Name(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE;
PHOSPHATIDYLGLYCEROL;
2-VACCENOYL-1-PALMITOYL-SN-GLYCEROL-3-PHOSPHOGLYCEROL
ChEMBL
DrugBank
ZINCZINC000032838297
PDB chain2dys Chain A Residue 606 [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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PDB2dys Structures and physiological roles of 13 integral lipids of bovine heart cytochrome c oxidase
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Q15 A16 L19
Binding residue
(residue number reindexed from 1)		Q15 A16 L19
Annotation score4
Enzymatic activity
Enzyme Commision number 1.9.3.1: Transferred entry: 7.1.1.9.
Gene Ontology
Biological Process
GO:0006123 mitochondrial electron transport, cytochrome c to oxygen
Cellular Component
GO:0045277 respiratory chain complex IV

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2dys, PDBe:2dys, PDBj:2dys
PDBsum2dys
PubMed17332748
UniProtP10175|COX8B_BOVIN Cytochrome c oxidase subunit 8B, mitochondrial (Gene Name=COX8B)

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