Conformational substates in different crystal forms of the photoactive yellow protein - Correlation with theoretical and experimental flexibility

Van Aalten, D. M. F., Crielaard, W., Hellingwerf, K. J., Joshua-Tor, L. (2000) Conformational substates in different crystal forms of the photoactive yellow protein - Correlation with theoretical and experimental flexibility. Protein Science, 9 (1). pp. 64-72. ISSN 0961-8368

URL: https://www.ncbi.nlm.nih.gov/pubmed/10739248
DOI: 10.1110/ps.9.1.64

Abstract

The conformational changes during the photocycle of the photoactive yellow protein have been the subject of many recent studies. Spectroscopic measurements have shown that the photocycle also occurs in a crystalline environment, and this has been the basis for subsequent Laue diffraction and cryocrystallographic studies. These studies have shown that conformational changes during the photocycle are limited to the chromophore and its immediate environment. However, spectroscopic studies suggest the presence of large conformational changes in the protein. Here, we address this apparent discrepancy in two ways. First, we obtain a description of large concerted motions in the ground state of the yellow protein from NMR data and theoretical calculations. Second, we describe the high-resolution structure of the yellow protein crystallized in a different space group. The structure of the yellow protein differs significantly between the two crystal forms. We show that these differences can be used to obtain a description of the flexibility of the protein that is consistent with the motions observed in solution.

Item Type: Paper
Uncontrolled Keywords: essential dynamics photoactive yellow protein photocycle X-ray crystallography HALOPHILIC PHOTOTROPHIC BACTERIUM halophilic hoototrophic bacterium RETINOL-BINDING PROTEIN Retinol binding protein ECTOTHIORHODOSPIRA-HALOPHILA Extothiorhodospira Halophila ESSENTIAL DYNAMICS Essential dynamics PHOTOCYCLE photocycle INTERMEDIATE intermediate MOLECULAR-DYNAMICS molecular dynamics CONCERTED MOTIONS concerted motions PRIMARY EVENTS primary events FLUORESCENCE flourescence PROGRAM program
Subjects: Investigative techniques and equipment > X-Ray Diffraction
bioinformatics > genomics and proteomics > genetics & nucleic acid processing > protein structure, function, modification > protein structure rendering
Investigative techniques and equipment > x ray crystallography
CSHL Authors:
Communities: CSHL labs > Joshua-Tor lab
Depositing User: CSHL Librarian
Date Deposited: 20 Mar 2012 19:31
Last Modified: 05 Sep 2017 20:09
PMCID: PMC2144441
Related URLs:
Dataset ID:
URI: http://repository.cshl.edu/id/eprint/25494

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