4JQK
Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol
Summary for 4JQK
Entry DOI | 10.2210/pdb4jqk/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, 2-(2-aminopyridin-1-ium-1-yl)ethanol, ... (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 | 34013.36 |
Authors | Boyce, S.E.,Fischer, M.,Fish, I. (deposition date: 2013-03-20, 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: 23896298DOI: 10.1016/j.jmb.2013.07.030 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.36 Å) |
Structure validation
Download full validation report