7QAN

Cytochrome P450 Enzyme AbyV

This is a non-PDB format compatible entry.

Summary for 7QAN

• Entry DOI: 10.2210/pdb7qan/pdb
• Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL, ... (10 entities in total)
• Functional Keywords: cytochrome p450, micromonospora maris, abyssomicin, heme, monooxygenase, oxidoreductase
• Biological source: Micromonospora maris (strain DSM 45365 / JCM 31040 / NBRC 109089 / NRRL B-24793 / AB-18-032) (Verrucosispora maris)
• Total number of polymer chains: 2
• Total formula weight: 92108.91

Authors

Parnell, A.E.,Back, C.R.,Race, P.R. (deposition date: 2021-11-17, release date: 2022-11-30, Last modification date: 2024-01-31)

Primary citation

Devine, A.J.,Parnell, A.E.,Back, C.R.,Lees, N.R.,Johns, S.T.,Zulkepli, A.Z.,Barringer, R.,Zorn, K.,Stach, J.E.M.,Crump, M.P.,Hayes, M.A.,van der Kamp, M.W.,Race, P.R.,Willis, C.L.
The Role of Cytochrome P450 AbyV in the Final Stages of Abyssomicin C Biosynthesis.
Angew.Chem.Int.Ed.Engl., 62:e202213053-e202213053, 2023

PubMed Abstract: Abyssomicin C and its atropisomer are potent inhibitors of bacterial folate metabolism. They possess complex polycyclic structures, and their biosynthesis has been shown to involve several unusual enzymatic transformations. Using a combination of synthesis and in vitro assays we reveal that AbyV, a cytochrome P450 enzyme from the aby gene cluster, catalyses a key late-stage epoxidation required for the installation of the characteristic ether-bridged core of abyssomicin C. The X-ray crystal structure of AbyV has been determined, which in combination with molecular dynamics simulations provides a structural framework for our functional data. This work demonstrates the power of combining selective carbon-13 labelling with NMR spectroscopy as a sensitive tool to interrogate enzyme-catalysed reactions in vitro with no need for purification.

PubMed: 36314667
DOI: 10.1002/anie.202213053

Experimental method

X-RAY DIFFRACTION (2.01 Å)