Structure of PDB 3fye Chain B Binding Site BS03

Receptor Information
>3fye Chain B (length=256) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LEIIGRPQPGGTGFQPSASPVATQIHWLDGFILVIIAAITIFVTLLILYA
VWRFHEKRNKVPARFTHNSPLEIAWTIVPIVILVAIGAFSLPVLFNQQEI
PEADVTVKVTGYQWYWGYEYPDEEISFESYMIGSPATGGDNRMSPEVEQQ
LIEAGYSRDEFLLATDTAMVVPVNKTVVVQVTGADVIHSWTVPAFGVKQD
AVPGRLAQLWFRAEREGIFFGQCSELCGISHAYMPITVKVVSEEAYAAWL
EQHHHH
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 chain3fye Chain B Residue 288 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fye Redox dependent conformational changes in cytochrome c oxidase suggest a gating mechanism for proton uptake.
Resolution2.15 Å
Binding residue
(original residue number in PDB)
L75 F94 H96 N97 L100 W104
Binding residue
(residue number reindexed from 1)
L46 F65 H67 N68 L71 W75
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:0005515 protein 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:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:3fye, PDBe:3fye, PDBj:3fye
PDBsum3fye
PubMed19397279
UniProtQ03736|COX2_CERSP Cytochrome c oxidase subunit 2 (Gene Name=ctaC)

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