Structure of PDB 2dys Chain C Binding Site BS10

Receptor Information
>2dys Chain C (length=259) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HQTHAYHMVNPSPWPLTGALSALLMTSGLTMWFHFNSMTLLMIGLTTNML
TMYQWWRDVIRESTFQGHHTPAVQKGLRYGMILFIISEVLFFTGFFWAFY
HSSLAPTPELGGCWPPTGIHPLNPLEVPLLNTSVLLASGVSITWAHHSLM
EGDRKHMLQALFITITLGVYFTLLQASEYYEAPFTISDGVYGSTFFVATG
FHGLHVIIGSTFLIVCFFRQLKFHFTSNHHFGFEAAAWYWHFVDVVWLFL
YVSIYWWGS
Ligand information
Ligand IDPEK
InChIInChI=1S/C43H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44)39-49-42(45)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,41H,3-10,12,14-16,18,20-21,23,25-27,29,31-40,44H2,1-2H3,(H,47,48)/b13-11-,19-17-,24-22-,30-28-/t41-/m1/s1
InChIKeyANRKEHNWXKCXDB-BHFWLYLHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
CACTVS 3.341CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
ACDLabs 10.04O=C(OCC(OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCCN)OC(=O)CCC\C=C/C/C=C\C\C=C/C/C=C\CCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
FormulaC43 H78 N O8 P
Name(1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE;
PHOSPHATIDYLETHANOLAMINE;
2-ARACHIDONOYL-1-STEAROYL-SN-GLYCEROL-3-PHOSPHOETHANOLAMINE
ChEMBL
DrugBank
ZINCZINC000085581337
PDB chain2dys Chain T Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		K77 R80 Y81 I84 F98 W240 F244 V247 V248
Binding residue
(residue number reindexed from 1)		K75 R78 Y79 I82 F96 W238 F242 V245 V246
Annotation score1
Enzymatic activity
Enzyme Commision number 7.1.1.9: cytochrome-c oxidase.
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0009055 electron transfer activity
Biological Process
GO:0006123 mitochondrial electron transport, cytochrome c to oxygen
GO:0008535 respiratory chain complex IV assembly
GO:0019646 aerobic electron transport chain
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0045277 respiratory chain complex IV

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2dys, PDBe:2dys, PDBj:2dys
PDBsum2dys
PubMed17332748
UniProtP00415|COX3_BOVIN Cytochrome c oxidase subunit 3 (Gene Name=MT-CO3)

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