Structure of huamn soluble guanylate cyclase in the riociguat and no- bound state

Structure

electron microscopy · 2 distinct chains · 43% helix, 19% strand (DSSP).

Ligands and binding sites

• G2P · Phosphomethylphosphonic acid guanylate ester · ligand · chains A, B
• HEM · Protoporphyrin IX containing Fe · ligand · chains B
• GZO · Methyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl) methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate · ligand · chains A, B
• MG · Magnesium ion · metal · 2 copies · chains A

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

Pockets

14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 6182 Ų buried · 42 hydrogen bonds · protein-protein

Compared structures

• 7D9R · Structure of huamn soluble guanylate cyclase in the riociguat and NO-bound state · the same entry in another collection · chain A against A, TM-score 1.00
• Q02153 · AlphaFold monomer V2.0 prediction for guanylate cyclase soluble subunit beta-1 (Q02153) · a predicted model of the same protein · chain B against A, TM-score 0.77
• Q02108 · AlphaFold monomer V2.0 prediction for guanylate cyclase soluble subunit alpha-1 (Q02108) · a predicted model of the same protein · chain A against A, TM-score 0.66

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 Q02108
• Every structure of UniProt Q02153
• Elsewhere: RCSB PDB 7D9R · PDBe 7D9R · UniProt Q02108 · UniProt Q02153