5UG2
CcP gateless cavity
Summary for 5UG2
Entry DOI | 10.2210/pdb5ug2/pdb |
Descriptor | Peroxidase, PROTOPORPHYRIN IX CONTAINING FE, 6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine, ... (4 entities in total) |
Functional Keywords | model system, cytochrome c peroxidase, gist, water, desolvation, docking, ligand binding, oxidoreductase |
Biological source | Saccharomyces cerevisiae (strain RM11-1a) (Baker's yeast) |
Total number of polymer chains | 1 |
Total formula weight | 33710.24 |
Authors | Stein, R.M.,Fischer, M.,Shoichet, B.K. (deposition date: 2017-01-06, release date: 2017-02-01, Last modification date: 2024-03-06) |
Primary citation | Balius, T.E.,Fischer, M.,Stein, R.M.,Adler, T.B.,Nguyen, C.N.,Cruz, A.,Gilson, M.K.,Kurtzman, T.,Shoichet, B.K. Testing inhomogeneous solvation theory in structure-based ligand discovery. Proc. Natl. Acad. Sci. U.S.A., 114:E6839-E6846, 2017 Cited by PubMed: 28760952DOI: 10.1073/pnas.1703287114 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.34 Å) |
Structure validation
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