9GR5

The MKAA-RSL - sulfonato-calix[4]arene complex

Summary for 9GR5

• Entry DOI: 10.2210/pdb9gr5/pdb
• Related: 8C9Y
• Descriptor: Fucose-binding lectin protein, beta-D-fructopyranose, 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, ... (4 entities in total)
• Functional Keywords: beta-propeller, lectin, trimer, sugar binding protein
• Biological source: Ralstonia solanacearum
• Total number of polymer chains: 3
• Total formula weight: 32717.47

Authors

Mockler, N.M.,Ramberg, K.O.,Flood, R.J.,Crowley, P.B. (deposition date: 2024-09-10, release date: 2025-03-05, Last modification date: 2025-03-12)

Primary citation

Mockler, N.M.,Ramberg, K.O.,Flood, R.J.,Crowley, P.B.
N-Terminal Protein Binding and Disorder-to-Order Transition by a Synthetic Receptor.
Biochemistry, 64:1092-1098, 2025

PubMed Abstract: We describe the capture and structuring of disordered N-terminal regions by the macrocycle sulfonato-calix[4]arene (). Using the trimeric β-propeller lectin (RSL) as a scaffold, we generated a series of mutants with extended and dynamic N-termini. Three of the mutants feature an N-terminal methionine-lysine motif. The fourth mutant contains the disordered 8-residue N-terminus of Histone 3, a component of the nucleosome. X-ray crystallography and NMR spectroscopy provide evidence for binding to the flexible N-terminal regions. Three crystal structures reveal that the calixarene recognizes the N-terminal Met-Lys motif, capturing either residue. We provide crystallographic proof for encapsulation of N-terminal methionine. Calixarene capture of intrinsically disordered regions may have applications in regulating protein secondary (and tertiary) structure.

PubMed: 39977527
DOI: 10.1021/acs.biochem.4c00729

Experimental method

X-RAY DIFFRACTION (1.32 Å)