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: 28760952 DOI: 10.1073/pnas.1703287114 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.34 Å)

Structure validation