Journal Article FZJ-2020-04412

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Direct Observation of the Protonation States in the Mutant Green Fluorescent Protein

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2020
ACS Washington, DC

The journal of physical chemistry letters 11, 492-496 () [10.1021/acs.jpclett.9b03252]

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Abstract: Neutron crystallography has been used to elucidate the protonationstates for the enhanced green fluorescent protein, which has revolutionized imagingtechnologies. The structure has a deprotonated hydroxyl group in the fluorescentchromophore. Also, the protonation states of His148 and Thr203, as well as theorientation of a critical water molecule in direct contact with the chromophore, couldbe determined. The results demonstrate that the deprotonated hydroxyl group in thechromophore and the nitrogen atom ND1 in His148 are charged negatively andpositively, respectively, forming an ion pair. The position of the two deuterium atomsin the critical water molecule appears to be displaced slightly toward the acceptoroxygen atoms according to their omit maps. This displacement implies the formationof an intriguing electrostatic potential realized inside of the protein. Our findingsprovide new insights into future protein design strategies along with developments inquantum chemical calculations.

Keyword(s): Health and Life (1st) ; Biology (2nd)

Classification:

Contributing Institute(s):
  1. JCNS-FRM-II (JCNS-FRM-II)
  2. Neutronenstreuung (JCNS-1)
  3. Heinz Maier-Leibnitz Zentrum (MLZ)
Research Program(s):
  1. 6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623) (POF3-623)
  2. 6G15 - FRM II / MLZ (POF3-6G15) (POF3-6G15)
Experiment(s):
  1. BIODIFF: Diffractometer for large unit cells (NL1)

Appears in the scientific report 2020
Database coverage:
Medline ; Embargoed OpenAccess ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF >= 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
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Document types > Articles > Journal Article
Institute Collections > JCNS > JCNS-1
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 Record created 2020-11-12, last modified 2021-01-30


Published on 2019-12-27. Available in OpenAccess from 2020-12-27.:
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