4JM5

Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-Amino-5-methylthiazole

Summary for 4JM5

Entry DOI	10.2210/pdb4jm5/pdb
Related	1KXM 1KXN 4JM6 4JM8 4JM9 4JMA 4JMB 4JMS 4JMT 4JMV 4JMW 4JMZ 4JN0 4JPL 4JPT 4JPU 4JQJ 4JQK 4JQM 4JQN
Descriptor	Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, 2-AMINO-5-METHYLTHIAZOLE, ... (5 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	33855.48
Authors	Boyce, S.E.,Fischer, M.,Fish, I.,Shoichet, B.K. (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 (1.26 Å)

Structure validation