5OPA

The crystal structure of P450 CYP121 in complex with lead compound 7b

Summary for 5OPA

Entry DOI	10.2210/pdb5opa/pdb
Descriptor	Mycocyclosin synthase, SULFATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... (6 entities in total)
Functional Keywords	cytochrome p450 inhibitor complex, oxidoreductase
Biological source	Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
Cellular location	Cytoplasm : P9WPP6
Total number of polymer chains	1
Total formula weight	44827.13
Authors	Levy, C.W. (deposition date: 2017-08-09, release date: 2018-03-28, Last modification date: 2024-05-01)
Primary citation	Taban, I.M.,Elshihawy, H.E.A.E.,Torun, B.,Zucchini, B.,Williamson, C.J.,Altuwairigi, D.,Ngu, A.S.T.,McLean, K.J.,Levy, C.W.,Sood, S.,Marino, L.B.,Munro, A.W.,de Carvalho, L.P.S.,Simons, C. Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation. J. Med. Chem., 60:10257-10267, 2017 Cited by PubMed: 29185746 DOI: 10.1021/acs.jmedchem.7b01562 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.345 Å)

Structure validation