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8TDQ

SFX-XFEL structure of CYP121 cocrystallized with substrate cYY

Replaces:  7S0O
Summary for 8TDQ
Entry DOI10.2210/pdb8tdq/pdb
Related8TDP
DescriptorMycocyclosin synthase, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... (5 entities in total)
Functional Keywordssfx, room temperature, es complex, p450, oxidoreductase
Biological sourceMycobacterium tuberculosis H37Rv
Total number of polymer chains1
Total formula weight44597.82
Authors
Nguyen, R.C.,Dasgupta, M.,Bhowmick, A.,Kern, J.F.,Liu, A. (deposition date: 2023-07-04, release date: 2023-11-22, Last modification date: 2023-11-29)
Primary citationNguyen, R.C.,Davis, I.,Dasgupta, M.,Wang, Y.,Simon, P.S.,Butryn, A.,Makita, H.,Bogacz, I.,Dornevil, K.,Aller, P.,Bhowmick, A.,Chatterjee, R.,Kim, I.S.,Zhou, T.,Mendez, D.,Paley, D.W.,Fuller, F.,Alonso Mori, R.,Batyuk, A.,Sauter, N.K.,Brewster, A.S.,Orville, A.M.,Yachandra, V.K.,Yano, J.,Kern, J.F.,Liu, A.
In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145:25120-25133, 2023
Cited by
PubMed: 37939223
DOI: 10.1021/jacs.3c04991
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.65 Å)
Structure validation

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