High-pressure macromolecular crystallography as a tool for studying protein flexibility

Lieske, J.; Saouane, S.; Reinke, P.Y.A.; Falke, S.; Ewert, W.; Meyer, J.; Pakendorf, T.; Burkhardt, A.; Crosas, E.; Hakanpää, J.; Stachnik, K.; Sieg, J.; Rarey, M.; Aßmann, M.; Zaun, H.; Kuballa, J.; Selikhanov, G.K.; Gabdulkhakov, A.G.; Chapman, H.N.; Günther, S.; Meents, A.

doi:10.1107/S2052252526008468

Figure 3
Pressure effect on AGE from Pedobacter heparinus. AGE consists of a homodimer of two (α/α)₆-barrels in a `front-to-front' configuration. (a) The cut through of one AGE monomer is shown in both the surface representation (gray) and the cartoon representation (green), allowing visualization of the shape of the central tunnel highlighted as blue spheres. Putative active site residues in close proximity (His244, His378, Glu314, Arg63, Glu247 and Arg381) are presented as pink sticks. (b) Parts of the central tunnel of the (α/α)₆-barrel structure of AGE are compressed at 52 MPa (cyan line) and 80 MPa (pink line) compared with the atmospheric pressure structure (black line).

IUCrJ

Volume 13| Part 6| November 2026|

ISSN: 2052-2525

https://doi.org/10.1107/S2052252526008468

BIOLOGY | MEDICINE

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