3qyw

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3qyw, resolution 1.50Å ()
Ligands: , ,
Non-Standard Residues:
Gene: Mapk1, Erk2, Mapk, Prkm1 (Rattus norvegicus)
Activity: Mitogen-activated protein kinase, with EC number 2.7.11.24
Related: 3qyu, 3qyz


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Contents

Crystal structure of ERK2 in complex with an inhibitor

Publication Abstract from PubMed

X-ray crystallography is now a recognized technique for ligand screening, especially for fragment-based drug design. However, protein crystal handling is still tedious and limits further automation. An alternative method for the solution of crystal structures of proteins in complex with small ligands is proposed. Crystallization drops are directly exposed to an X-ray beam after cocrystallization or soaking with the desired ligands. The use of dedicated plates in connection with an optimal parametrization of the G-rob robot allows efficient data collection. Three proteins currently under study in our laboratory for ligand screening by X-ray crystallography were used as validation test cases. The protein crystals belonged to different space groups, including a challenging monoclinic case. The resulting diffraction data can lead to clear ligand recognition, including indication of alternating conformations. These results demonstrate a possible method for automation of ligand screening by X-ray crystallography.

In-plate protein crystallization, in situ ligand soaking and X-ray diffraction., le Maire A, Gelin M, Pochet S, Hoh F, Pirocchi M, Guichou JF, Ferrer JL, Labesse G, Acta Crystallogr D Biol Crystallogr. 2011 Sep;67(Pt 9):747-55. doi:, 10.1107/S0907444911023249. Epub 2011 Aug 9. PMID:21904027

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

3qyw is a 1 chain structure with sequence from Rattus norvegicus. Full crystallographic information is available from OCA.

See Also

Reference

  • le Maire A, Gelin M, Pochet S, Hoh F, Pirocchi M, Guichou JF, Ferrer JL, Labesse G. In-plate protein crystallization, in situ ligand soaking and X-ray diffraction. Acta Crystallogr D Biol Crystallogr. 2011 Sep;67(Pt 9):747-55. doi:, 10.1107/S0907444911023249. Epub 2011 Aug 9. PMID:21904027 doi:10.1107/S0907444911023249

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