4JM9

Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 3-amino-1-methylpyridinium

Summary for 4JM9

Entry DOI	10.2210/pdb4jm9/pdb
Related	1KXM 1KXN 4JM5 4JM6 4JM8 4JMA 4JMW
Descriptor	Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, 1-METHYL-1,6-DIHYDROPYRIDIN-3-AMINE, ... (6 entities in total)
Functional Keywords	model system, bulk solvent, ordered waters, docking, ligand binding, free energy calculation, molecular dynamics, oxidoreductase
Biological source	Saccharomyces cerevisiae (Baker's yeast)
Total number of polymer chains	1
Total formula weight	33877.10
Authors	Boyce, S.E.,Fischer, M.,Fish, I. (deposition date: 2013-03-13, release date: 2013-05-01, Last modification date: 2024-02-28)
Primary citation	Rocklin, G.J.,Boyce, S.E.,Fischer, M.,Fish, I.,Mobley, D.L.,Shoichet, B.K.,Dill, K.A. Blind prediction of charged ligand binding affinities in a model binding site. J.Mol.Biol., 425:4569-4583, 2013 Cited by PubMed: 23896298 DOI: 10.1016/j.jmb.2013.07.030 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.41 Å)

Structure validation