Structure of PDB 2dys Chain G Binding Site BS02

Receptor Information
>2dys Chain G (length=84) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASAAKGDHGGTGARTWRFLTFGLALPSVALCTLNSWLHSGHRERPAFIPY
HHLRIRTKPFSWGDGNHTFFHNPRVNPLPTGYEK
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 C Residue 305 [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)		W62 T68 F69 F70 N76
Binding residue
(residue number reindexed from 1)		W62 T68 F69 F70 N76
Annotation score4
Enzymatic activity
Enzyme Commision number 1.9.3.1: Transferred entry: 7.1.1.9.
Gene Ontology
Cellular Component
GO:0005743 mitochondrial inner membrane

View graph for
Cellular Component
External links
PDB RCSB:2dys, PDBe:2dys, PDBj:2dys
PDBsum2dys
PubMed17332748
UniProtP07471|CX6A2_BOVIN Cytochrome c oxidase subunit 6A2, mitochondrial (Gene Name=COX6A2)

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