› 7lgk

X-ray diffraction
2.2Å resolution

Crystal structure of soluble guanylate cyclase activator runcaciguat (BAY 1101042) bound to nostoc H-NOX domain

Released:
DOI: 10.2210/pdb7lgk/pdb
Model geometry
Fit model/data
PDB entry 7lgk coloured by chain, front view.
PDB entry 7lgk coloured by chain, side view.
PDB entry 7lgk coloured by chain, top view.
Source organism: Nostoc sp. PCC 7120 = FACHB-418
Primary publication:
Discovery of the Soluble Guanylate Cyclase Activator Runcaciguat (BAY 1101042).
Hahn MG, Lampe T, El Sheikh S, Griebenow N, Woltering E, Schlemmer KH, Dietz L, Gerisch M, Wunder F, Becker-Pelster EM, Mondritzki T, Tinel H, Knorr A, Kern A, Lang D, Hueser J, Schomber T, Benardeau A, Eitner F, Truebel H, Mittendorf J, Kumar V, van den Akker F, Schaefer M, Geiss V, Sandner P, Stasch JP
J Med Chem 64 5323-5344 (2021)
PMID: 33872507

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187121 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heme NO-binding domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 182 amino acids
Theoretical weight: 20.36 KDa
Source organism: Nostoc sp. PCC 7120 = FACHB-418
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8YUQ7 (Residues: 1-182; Coverage: 96%)
Gene name: alr2278
Sequence domains: Haem-NO-binding

Ligands and Environments

3 bound ligands:
Ligand XZ7 2 x XZ7
Ligand CL 2 x CL
Ligand GOL 6 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: PETRA III, DESY BEAMLINE P11
Spacegroup: P213
Unit cell:
a: 123.99Å b: 123.99Å c: 123.99Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.162 0.207
Expression system: Escherichia coli

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Citations

10 review citations

Cyclic GMP modulating drugs in cardiovascular diseases: mechanism-based network pharmacology.
Petraina et al. (2022)
9 more

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