4JPT

Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with quinazoline-2,4-diamine

Summary for 4JPT

Entry DOI	10.2210/pdb4jpt/pdb
Related	1KXM 1KXN 4JM5 4JM6 4JM8 4JM9 4JMA 4JMW 4JPL 4JPT 4JPU 4JQJ 4JQK 4JQM 4JQN
Descriptor	Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazoline-2,4-diamine, ... (5 entities in total)
Functional Keywords	model system, ligand binding, free energy calculation, molecular dynamics, oxidoreductase
Biological source	Saccharomyces cerevisiae (Baker's yeast)
Total number of polymer chains	1
Total formula weight	33895.19
Authors	Boyce, S.E.,Fischer, M.,Fish, I. (deposition date: 2013-03-19, release date: 2013-07-31, 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