Structure of PDB 6jy4 Chain B Binding Site BS01

Receptor Information
>6jy4 Chain B (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 IDCQX
InChIInChI=1S/C18H36O7/c1-2-3-4-5-6-7-8-9-10-23-11-12-24-18-17(22)16(21)15(20)14(13-19)25-18/h14-22H,2-13H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKeyVOSUWWUWOMLIMI-ZBRFXRBCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.385CCCCCCCCCCOCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7CCCCCCCCCCOCCOC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.385CCCCCCCCCCOCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
FormulaC18 H36 O7
Name(2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol;
3-Oxatridecyl-alpha-D-mannopyranoside
ChEMBL
DrugBank
ZINC
PDB chain6jy4 Chain A Residue 606 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jy4 Monomeric structure of an active form of bovine cytochromecoxidase.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		M56 E60 W65
Binding residue
(residue number reindexed from 1)		M56 E60 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:6jy4, PDBe:6jy4, PDBj:6jy4
PDBsum6jy4
PubMed31533957
UniProtP68530|COX2_BOVIN Cytochrome c oxidase subunit 2 (Gene Name=MT-CO2)

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