3CWB

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

3CWB の概要

• エントリーDOI: 10.2210/pdb3cwb/pdb
• 分子名称: 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)
• 機能のキーワード: 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
• 由来する生物種: Gallus gallus (chicken); 詳細
• タンパク質・核酸の鎖数: 20
• 化学式量合計: 481896.65

構造登録者

Huang, L.,Cromartie, T.,Viner, R.,Crowley, P.J.,Berry, E.A. (登録日: 2008-04-21, 公開日: 2008-08-12, 最終更新日: 2023-08-30)

主引用文献

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

実験手法

X-RAY DIFFRACTION (3.51 Å)