Structure of PDB 2dyr Chain I Binding Site BS01

Receptor Information
>2dyr Chain I (length=73) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STALAKPQMRGLLARRLRFHIVGAFMVSLGFATFYKFAVAEKRKKAYADF
YRNYDSMKDFEEMRKAGIFQSAK
Ligand information
Ligand IDPSC
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/p+1/b16-14+,21-20-/t40-/m1/s1
InChIKeyJLPULHDHAOZNQI-AUSZDXHESA-O
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCC\C=C/C/C=C/CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C/CCCCC
FormulaC42 H81 N O8 P
Name(7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE;
PHOSPHATIDYLCHOLINE;
2-LINOLEOYL-1-PALMITOYL-SN-GYCEROL-3-PHOSPHOCHOLINE
ChEMBL
DrugBank
ZINCZINC000098209319
PDB chain2dyr Chain B Residue 230 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2dyr Structures and physiological roles of 13 integral lipids of bovine heart cytochrome c oxidase
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R10 A14
Binding residue
(residue number reindexed from 1)		R10 A14
Annotation score4
Enzymatic activity
Enzyme Commision number 1.9.3.1: Transferred entry: 7.1.1.9.
Gene Ontology
Biological Process
GO:0006119 oxidative phosphorylation
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0045277 respiratory chain complex IV

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2dyr, PDBe:2dyr, PDBj:2dyr
PDBsum2dyr
PubMed17332748
UniProtP04038|COX6C_BOVIN Cytochrome c oxidase subunit 6C (Gene Name=COX6C)

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