Solution structure of the pilz domain protein PA4608 complex with C- di-gmp identifies charge clustering as molecular readout

Structure

solution nmr · 1 distinct chain · 18% helix, 40% strand (DSSP).

Ligands and binding sites

• C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Compared structures

• 2L74 · Solution structure of the PilZ domain protein PA4608 complex with c-di-GMP identifies… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9HVI1 · AlphaFold monomer V2.0 prediction for cyclic diguanosine monophosphate-binding protein… · a predicted model of the same protein · chain A against A, TM-score 0.80

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q9HVI1
• Elsewhere: RCSB PDB 2L74 · PDBe 2L74 · UniProt Q9HVI1