PDBsum entry 4jqh

Signaling protein

PDB id: 4jqh

Contents

Protein chains

182 a.a.

Ligands

1MF ×2

MLA ×2

Waters ×116

PDB id:

4jqh

Name:

Signaling protein

Title:

Crystal structure of a new sgc activator (analogue of bay 58-2667) bound to nostoc h-nox domain

Structure:

Alr2278 protein. Chain: a, b. Engineered: yes. Mutation: yes

Source:

Nostoc sp.. Organism_taxid: 103690. Strain: pcc 7120. Gene: alr2278. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.30Å R-factor: 0.132 R-free: 0.190

Authors:

V.Kumar,F.Van Den Akker

Key ref:

M.von Wantoch Rekowski et al. (2013). Insights into soluble guanylyl cyclase activation derived from improved heme-mimetics. J Med Chem, 56, 8948-8952. PubMed id: 24090476 DOI: 10.1021/jm400539d

Date:

20-Mar-13 Release date: 20-Nov-13

Protein chains

Q8YUQ7  (Q8YUQ7_NOSS1) -  Alr2278 protein from Nostoc sp. (strain PCC 7120 / SAG 25.82 / UTEX 2576)

Seq: 189 a.a.

Struc: 182 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: E.C.4.6.1.2 - guanylate cyclase.
• Reaction: GTP = 3',5'-cyclic GMP + diphosphate

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

DOI no: 10.1021/jm400539d

J Med Chem 56:8948-8952 (2013)

PubMed id: 24090476

Insights into soluble guanylyl cyclase activation derived from improved heme-mimetics.

M.von Wantoch Rekowski, V.Kumar, Z.Zhou, J.Moschner, A.Marazioti, M.Bantzi, G.A.Spyroulias, F.van den Akker, A.Giannis, A.Papapetropoulos.

ABSTRACT

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 αF helix containing 110-114 residues contributes to the higher activation triggered by 20.