Structure of PDB 8ijn Chain W Binding Site BS01

Receptor Information
>8ijn Chain W (length=58) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FENRVAEKQKLFQEDNGLPVHLKGGATDNILYRVTMTLCLGGTLYSLYCL
GWASFPHK
Ligand information
Ligand IDDMU
InChIInChI=1S/C22H42O11/c1-2-3-4-5-6-7-8-9-10-30-21-19(29)17(27)20(14(12-24)32-21)33-22-18(28)16(26)15(25)13(11-23)31-22/h13-29H,2-12H2,1H3/t13-,14-,15-,16+,17-,18-,19-,20-,21-,22-/m1/s1
InChIKeyWOQQAWHSKSSAGF-WXFJLFHKSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O
ACDLabs 12.01O(CCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
OpenEye OEToolkits 1.7.6CCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O
CACTVS 3.370CCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
FormulaC22 H42 O11
NameDECYL-BETA-D-MALTOPYRANOSIDE;
DECYLMALTOSIDE
ChEMBL
DrugBank
ZINCZINC000085482724
PDB chain8ijn Chain W Residue 102 [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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PDB8ijn Bovine cytochrome c oxidase structures enable O2 reduction with minimization of reactive oxygens and provide a proton-pumping gate.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S46 Y48 C49 L50 W52
Binding residue
(residue number reindexed from 1)		S46 Y48 C49 L50 W52
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006123 mitochondrial electron transport, cytochrome c to oxygen
Cellular Component
GO:0045277 respiratory chain complex IV

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Biological Process
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Cellular Component
External links
PDB RCSB:8ijn, PDBe:8ijn, PDBj:8ijn
PDBsum8ijn
PubMed20385840
UniProtP07470|CX7A1_BOVIN Cytochrome c oxidase subunit 7A1, mitochondrial (Gene Name=COX7A1)

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