Structure of PDB 5zdp Chain D Binding Site BS04

Receptor Information
>5zdp Chain D (length=265) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVWGHTQLNRLSFLETVPVVPLRVSDESSEDRPTWSLPDIENVAITHKKP
NGLVDTLAYRSVRTCRWLFDTFSLYRFGSITESKVISRCLFLETVAGVPG
MVGGMLRHLSSLRYMTRDKGWINTLLVEAENERMHLMTFIELRQPGLPLR
VSIIITQAIMYLFLLVAYVISPRFVHRFVGYLEEEAVITYTGVMRAIDEG
RLRPTKNDVPEVARVYWNLSKNATFRDLINVIRADEAEHRVVNHTFADMH
EKRLQNSVNPFVVLK
Ligand information
Ligand ID9AU
InChIInChI=1S/C24H30O3/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-21-23(25)20-13-5-6-14-22(20)27-24(21)26/h5-6,9,11,13-15,25H,7-8,10,12,16H2,1-4H3/b18-11+,19-15+
InChIKeyNJJDBBUWWOAOLD-CFBAGHHKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=CCCC(=CCCC(=CCC1=C(c2ccccc2OC1=O)O)C)C)C
CACTVS 3.385CC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)c2ccccc2OC1=O
CACTVS 3.385CC(C)=CCCC(/C)=C/CCC(/C)=C/CC1=C(O)c2ccccc2OC1=O
OpenEye OEToolkits 2.0.6CC(=CCC/C(=C/CC/C(=C/CC1=C(c2ccccc2OC1=O)O)/C)/C)C
FormulaC24 H30 O3
Name4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one
ChEMBLCHEMBL268393
DrugBank
ZINCZINC000005158566
PDB chain5zdp Chain D Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zdp Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase.
Resolution2.71 Å
Binding residue
(original residue number in PDB)		C95 R96 R118 L122 E123 T219 Y220
Binding residue
(residue number reindexed from 1)		C65 R66 R88 L92 E93 T189 Y190
Annotation score1
Enzymatic activity
Enzyme Commision number 1.-.-.-
Gene Ontology
Molecular Function
GO:0008199 ferric iron binding
GO:0009916 alternative oxidase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0010230 alternative respiration
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5zdp, PDBe:5zdp, PDBj:5zdp
PDBsum5zdp
PubMed30910528
UniProtQ26710|AOX_TRYBB Alternative oxidase, mitochondrial (Gene Name=AOX)

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