Crystal structure of a new sGC activator (analogue of BAY 58-2667) bound to nostoc H-NOX domainCrystal structure of a new sGC activator (analogue of BAY 58-2667) bound to nostoc H-NOX domain

Structural highlights

4jqh is a 2 chain structure with sequence from Anabaena 7120. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:,
Gene:alr2278 (Anabaena 7120)
Activity:Guanylate cyclase, with EC number 4.6.1.2
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Publication Abstract from PubMed

Recently, the structure of BAY 58-2667 bound to the Nostoc sp. H-NOX domain was published. On the basis of this structural information, we designed BAY 58-2667 derivatives and tested their effects on soluble guanylyl cyclase (sGC) activity. Derivative 20 activated sGC 4.8-fold more than BAY 58-2667. Co-crystallization of 20 with the Ns H-NOX domain revealed that the increased conformational distortion at the C-terminal region of alphaF helix containing 110-114 residues contributes to the higher activation triggered by 20.

Insights into Soluble Guanylyl Cyclase Activation Derived from Improved Heme-Mimetics.,von Wantoch Rekowski M, Kumar V, Zhou Z, Moschner J, Marazioti A, Bantzi M, Spyroulias GA, van den Akker F, Giannis A, Papapetropoulos A J Med Chem. 2013 Oct 24. PMID:24090476[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

  1. von Wantoch Rekowski M, Kumar V, Zhou Z, Moschner J, Marazioti A, Bantzi M, Spyroulias GA, van den Akker F, Giannis A, Papapetropoulos A. Insights into Soluble Guanylyl Cyclase Activation Derived from Improved Heme-Mimetics. J Med Chem. 2013 Oct 24. PMID:24090476 doi:http://dx.doi.org/10.1021/jm400539d

4jqh, resolution 2.30Å

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