Crystal structure of CHER1 in complex with C-di-gmp-bound mapz

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 27% 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 B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1640 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

• 5XLY · Crystal structure of CheR1 in complex with c-di-GMP-bound MapZ · 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 B against A, TM-score 0.95
• O87131 · AlphaFold monomer V2.0 prediction for chemotaxis protein methyltransferase 1 (O87131) · a predicted model of the same protein · chain A against A, TM-score 0.77

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 O87131
• Every structure of UniProt Q9HVI1
• Elsewhere: RCSB PDB 5XLY · PDBe 5XLY · UniProt O87131 · UniProt Q9HVI1