3CWB

Chicken Cytochrome BC1 Complex inhibited by an iodinated analogue of the polyketide Crocacin-D

Summary for 3CWB

• Entry DOI: 10.2210/pdb3cwb/pdb
• Descriptor: MITOCHONDRIAL UBIQUINOL-CYTOCHROME-C REDUCTASE COMPLEX CORE PROTEIN I, MITOCHONDRIAL UBIQUINOL-CYTOCHROME C REDUCTASE 7.2 KDA PROTEIN, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... (21 entities in total)
• Functional Keywords: crocacin d, inhibitor design, structure-activity relationship, polyketide, fungicide, cytochrome bc1, membrane protein, heme protein, rieske iron sulfur protein, cytochrome b, cytochrome c1, complex iii, mitochondrial processing protea ubiquinone, oxidoreductase, redox enzyme, respiratory chain, electron transport, heme, inner membrane, iron, membrane, metal-binding, mitochondrion, transmembrane, transport
• Biological source: Gallus gallus (chicken); More
• Total number of polymer chains: 20
• Total formula weight: 481896.65

Authors

Huang, L.,Cromartie, T.,Viner, R.,Crowley, P.J.,Berry, E.A. (deposition date: 2008-04-21, release date: 2008-08-12, Last modification date: 2023-08-30)

Primary citation

Crowley, P.J.,Berry, E.A.,Cromartie, T.,Daldal, F.,Godfrey, C.R.,Lee, D.W.,Phillips, J.E.,Taylor, A.,Viner, R.
The role of molecular modeling in the design of analogues of the fungicidal natural products crocacins A and D.
Bioorg.Med.Chem., 16:10345-10355, 2008

PubMed Abstract: Extensive molecular modeling based on crystallographic data was used to aid the design of synthetic analogues of the fungicidal naturally occurring respiration inhibitors crocacins A and D, and an inhibitor binding model to the mammalian cytochrome bc(1) complex was constructed. Simplified analogues were made which showed high activity in a mitochondrial beef heart respiration assay, and which were also active against certain plant pathogens in glasshouse tests. A crystal structure was obtained of an analogue of crocacin D bound to the chicken heart cytochrome bc(1) complex, which validated the binding model and which confirmed that the crocacins are a new class of inhibitor of the cytochrome bc(1) complex.

PubMed: 18996700
DOI: 10.1016/j.bmc.2008.10.030

Experimental method

X-RAY DIFFRACTION (3.51 Å)