Structure of PDB 2dyr Chain O Binding Site BS04

Receptor Information
>2dyr Chain O (length=227) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAYPMQLGFQDATSPIMEELLHFHDHTLMIVFLISSLVLYIISLMLTTKL
THTSTMDAQEVETIWTILPAIILILIALPSLRILYMMDEINNPSLTVKTM
GHQWYWSYEYTDYEDLSFDSYMIPTSELKPGELRLLEVDNRVVLPMEMTI
RMLVSSEDVLHSWAVPSLGLKTDAIPGRLNQTTLMSSRPGLYYGQCSEIC
GSNHSFMPIVLELVPLKYFEKWSASML
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 O Residue 1230 [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)		M45 H52 M56 D57 W65
Binding residue
(residue number reindexed from 1)		M45 H52 M56 D57 W65
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:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0022900 electron transport chain
GO:0042773 ATP synthesis coupled electron transport
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
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Cellular Component
External links
PDB RCSB:2dyr, PDBe:2dyr, PDBj:2dyr
PDBsum2dyr
PubMed17332748
UniProtP68530|COX2_BOVIN Cytochrome c oxidase subunit 2 (Gene Name=MT-CO2)

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