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4JQK

Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol

Summary for 4JQK
Entry DOI10.2210/pdb4jqk/pdb
Related1KXM 1KXN 4JM5 4JM6 4JM8 4JM9 4JMA 4JMW 4JPL 4JPT 4JPU 4JQJ 4JQK 4JQM 4JQN
DescriptorCytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, 2-(2-aminopyridin-1-ium-1-yl)ethanol, ... (5 entities in total)
Functional Keywordsmodel system, ligand binding, free energy calculation, molecular dynamics, oxidoreductase
Biological sourceSaccharomyces cerevisiae (Baker's yeast)
Total number of polymer chains1
Total formula weight34013.36
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 citationRocklin, 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 (1.36 Å)
Structure validation

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