Structure of PDB 8abj Chain C Binding Site BS03

Receptor Information
>8abj Chain C (length=383) Species: 4952 (Yarrowia lipolytica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MALRKKNSLLNMANSYVLDSPQPSNLNYFWNFGSLLALCLVIQLATGITL
AMHYTSHASLAFDSVEHIMRDVNFGWFIRYAHANTASFFFICIYAHMGRN
IYYGSYKTPRVLPWSIGVIIFLLLIITAFMGYVLVFGQMSLWGATVICNL
VSAIPWLGEDIVHFLWGGFSVGNPTLQRFFALHYLMPFVLAVFALLHLIA
LHTAGSSNPLGITSNVDKLSMHPYYSFKDLITVFAFLLMFTLFVFFSPDK
LGHPDNYIPANPMVTPASIVPEWYLLPFYAILRAIPDKLGGVIAMVAAIL
ILLILPIVDRSIIRGNAFKPISKLLFGFFICNFLLLGVLGQVHIEPPFIV
LGQICTIFYFSYFLILLPMVSTIENIFFYIGSL
Ligand information
Ligand IDAWB
InChIInChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1
InChIKeyUIFFUZWRFRDZJC-SBOOETFBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCC[CH]1[CH](OC(=O)CC(C)C)[CH](C)OC(=O)[CH](NC(=O)c2cccc(NC=O)c2O)[CH](C)OC1=O
CACTVS 3.385CCCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O
OpenEye OEToolkits 1.7.6CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C
OpenEye OEToolkits 1.7.6CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C
FormulaC28 H40 N2 O9
Name[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 3-methylbutanoate
ChEMBLCHEMBL211501
DrugBank
ZINCZINC000005224254
PDB chain8abj Chain C Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8abj Analysis of the conformational heterogeneity of the Rieske iron-sulfur protein in complex III 2 by cryo-EM.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		V17 Q22 W30 N31 A37 L195 L198 M221 Y225 D229
Binding residue
(residue number reindexed from 1)		V17 Q22 W30 N31 A37 L195 L198 M221 Y225 D229
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0006122 mitochondrial electron transport, ubiquinol to cytochrome c
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0045275 respiratory chain complex III

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8abj, PDBe:8abj, PDBj:8abj
PDBsum8abj
PubMed36598500
UniProtQ9B6D0|CYB_YARLI Cytochrome b (Gene Name=COB)

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