2W0A

CYP51 of M. tuberculosis bound to an inhibitor N-[(1S)-2-METHYL-1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE

Summary for 2W0A

• Entry DOI: 10.2210/pdb2w0a/pdb
• Related: 1E9X 1EA1 1H5Z 1U13 1X8V 2BZ9 2CI0 2CIB 2VKU 2W09 2W0B
• Descriptor: CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE, N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide, ... (4 entities in total)
• Functional Keywords: steroid biosynthesis, protein-inhibitor complex, metal-binding, oxidoreductase, lipid synthesis, nadp, iron, heme, cytoplasm, monooxygenase, sterol biosynthesis
• Biological source: MYCOBACTERIUM TUBERCULOSIS
• Total number of polymer chains: 1
• Total formula weight: 52411.20

Authors

Podust, L.M. (deposition date: 2008-08-12, release date: 2009-01-20, Last modification date: 2023-12-13)

Primary citation

Chen, C.-K.,Doyle, P.S.,Yermalitskaya, L.V.,Mackey, Z.B.,Ang, K.K.H.,Mckerrow, J.H.,Podust, L.M.
Trypanosoma Cruzi Cyp51 Inhibitor Derived from a Mycobacterium Tuberculosis Screen Hit.
Plos Negl Trop Dis, 3:E372-, 2009

PubMed Abstract: The two front-line drugs for chronic Trypanosoma cruzi infections are limited by adverse side-effects and declining efficacy. One potential new target for Chagas' disease chemotherapy is sterol 14alpha-demethylase (CYP51), a cytochrome P450 enzyme involved in biosynthesis of membrane sterols.

PubMed: 19190730
DOI: 10.1371/JOURNAL.PNTD.0000372

Experimental method

X-RAY DIFFRACTION (1.6 Å)