5E9Z

Cytochrome P450 BM3 mutant M11

Summary for 5E9Z

Entry DOI	10.2210/pdb5e9z/pdb
Descriptor	Bifunctional cytochrome P450/NADPH--P450 reductase, FE (II) ION, PROTOPORPHYRIN IX, ... (5 entities in total)
Functional Keywords	metabolism, molecular dynamics, free energy calculations, thermodynamic integration, oxidoreductase
Biological source	Bacillus megaterium
Cellular location	Cytoplasm : P14779
Total number of polymer chains	4
Total formula weight	215466.95
Authors	Capoferri, L.,Leth, R.,ter Haar, E.,Mohanty, A.K.,Grootenhuis, D.J.,Vottero, E.,Commandeur, J.N.M.,Vermeulen, N.P.E.,Jorgensen, F.S.,Olsen, L.,Geerke, D.P. (deposition date: 2015-10-15, release date: 2016-01-27, Last modification date: 2023-09-27)
Primary citation	Capoferri, L.,Leth, R.,Ter Haar, E.,Mohanty, A.K.,Grootenhuis, P.D.,Vottero, E.,Commandeur, J.N.,Vermeulen, N.P.,Jrgensen, F.S.,Olsen, L.,Geerke, D.P. Insights into regioselective metabolism of mefenamic acid by cytochrome P450 BM3 mutants through crystallography, docking, molecular dynamics, and free energy calculations. Proteins, 84:383-396, 2016 Cited by PubMed: 26757175 DOI: 10.1002/prot.24985 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.23 Å)

Structure validation