Activated response regulator pled in complex with C-digmp and GTP- alpha-S

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 18% 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 · 4 copies · chains A, B
• BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, B
• GAV · Guanosine-5'-rp-alpha-thio-triphosphate · ligand · 2 copies · chains A, B
• MG · Magnesium ion · metal · 5 copies · chains A, B
• SO4 · Sulfate ion · ion · 2 copies · chains A, B
• CL · Chloride ion · ion · chains A

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

Pockets

9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 3186 Ų buried · 42 hydrogen bonds · protein-protein

Compared structures

• 2V0N · Activated response regulator pled in complex with C-digmp and GTP- alpha-S · the same entry in another collection · chain B against B, TM-score 1.00
• Q9A5I5 · AlphaFold monomer V2.0 prediction for response regulator pled (Q9A5I5) · a predicted model of the same protein · chain B against A, TM-score 0.72

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 Q9A5I5
• Elsewhere: RCSB PDB 2V0N · PDBe 2V0N · UniProt Q9A5I5