7KSA
Crystal structure of human CYP3A4 with the caged inhibitor
Summary for 7KSA
Entry DOI | 10.2210/pdb7ksa/pdb |
Descriptor | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, (tert-butyl {1-[(1-oxo-3-phenyl-1-{[3-(pyridin-3-yl-kappaN)prop-1-en-1-yl]amino}propan-2-yl)sulfanyl]-3-phenylpropan-2-yl}carbamate)(6,6'-dimethyl-2,2'-bipyridine-kappa~2~N~1~,N~1'~)(1~2~,2~2~:2~6~,3~2~-terpyridine-kappa~3~N~1^{1~},N~2^{1~},N~3^{1~})ruthenium, ... (4 entities in total) |
Functional Keywords | cyp3a4, inhibitor, complex, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 57426.60 |
Authors | Sevrioukova, I.S. (deposition date: 2020-11-21, release date: 2021-06-02, Last modification date: 2023-10-18) |
Primary citation | Toupin, N.,Steinke, S.J.,Nadella, S.,Li, A.,Rohrabaugh Jr., T.N.,Samuels, E.R.,Turro, C.,Sevrioukova, I.F.,Kodanko, J.J. Photosensitive Ru(II) Complexes as Inhibitors of the Major Human Drug Metabolizing Enzyme CYP3A4. J.Am.Chem.Soc., 143:9191-9205, 2021 Cited by PubMed: 34110801DOI: 10.1021/jacs.1c04155 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.5 Å) |
Structure validation
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