Preliminary crystallographic analysis of the ankyrin-repeat domain of Arabidopsis thaliana AKT1: identification of the domain boundaries for protein crystallization.

Acta Crystallogr F Struct Biol Commun

Departamento de Cristalografía y Biología Estructural, Instituto de Química-Física `Rocasolano', CSIC, Serrano 119, 28006 Madrid, Spain.

Published: April 2014

The Arabidopsis thaliana K(+) transporter 1 (AKT1) participates in the maintenance of an adequate cell potassium (K(+)) concentration. The CBL-interacting protein kinase 23 (CIPK23) activates AKT1 for K(+) uptake under low-K(+) conditions. This process is mediated by the interaction between the cytosolic ankyrin-repeat (AR) domain of AKT1 and the kinase domain of CIPK23. However, the precise boundaries of the AR domain and the residues responsible for the interaction are still unknown. Here, the optimization procedure to obtain an AR domain construct suitable for crystallization and the preliminary crystallographic analysis of the obtained crystals are reported. The crystals belonged to space group P21212, with unit-cell parameters a = 34.83, b = 65.89, c = 85.44 Å, and diffracted to 1.98 Å resolution.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3976075PMC
http://dx.doi.org/10.1107/S2053230X14005093DOI Listing

Publication Analysis

Top Keywords

preliminary crystallographic
8
crystallographic analysis
8
ankyrin-repeat domain
8
arabidopsis thaliana
8
domain
6
analysis ankyrin-repeat
4
domain arabidopsis
4
akt1
4
thaliana akt1
4
akt1 identification
4

Similar Publications

Crystallization and preliminary X-ray crystallographic studies of AfeH from Acimetobacter sp. DL-2.

Acta Crystallogr F Struct Biol Commun

January 2025

Key Laboratory of Agricultural Environmental Microbiology, Ministry of Agriculture and Rural Affairs, College of Life Sciences, Nanjing Agricultural University, Nanjing 210095, People's Republic of China.

Fenoxaprop-P-ethyl (FE) is widely applied as a post-emergence aryloxyphenoxy propionate (AOPP) herbicide in agriculture. A novel FE hydrolase esterase from Acinetobacter sp. DL-2 (AfeH) was identified which belongs to the family IV carboxylesterases and shows less than 30% identity to other reported homologues with known structure.

View Article and Find Full Text PDF
Article Synopsis
  • The study developed new compounds called 6-N-benzyloxazolo[5,4-d]pyrimidin-7(6H)-imines aimed at inhibiting the VEGFR2, a protein involved in cancer progression, and confirmed their structures using various scientific techniques.
  • Molecular docking simulations suggested that these new compounds could bind similarly to known VEGFR2 inhibitors, and preliminary tests showed that some derivatives were effective against different human cancer cell lines, comparable to the reference drug tivozanib.
  • Notably, the compound 3h was particularly effective against all cancer lines but also toxic to healthy cells, while derivatives 3b and 3f exhibited promising anti-cancer and anti
View Article and Find Full Text PDF

Atomistic insights into the nucleation and growth of hexagonal boron nitride and graphene heterostructures.

Phys Chem Chem Phys

November 2024

Laboratoire de Physique du solide, Namur Institute of Structured Matter, University of Namur, Rue de Bruxelles 61, 5000, Namur, Belgium.

Graphene and hexagonal boron nitride (hBN) are two-dimensional (2D) materials with a similar atomic structure but drastically different although complementary electronic properties. The large-scale synthesis of h-BN/graphene heterostructures with high crystallographic quality is required to fully benefit of the graphene electronic properties. In this study, we examine numerically the interaction of graphene precursors on hBN and of hBN precursors on graphene to gain deep insight of the CVD and MBE growth mechanism of graphene/hBN heterostructures.

View Article and Find Full Text PDF

"Pseudosubstrate Envelope"/Free Energy Perturbation-Guided Design and Mechanistic Investigations of Benzothiazole HIV Capsid Modulators with High Ligand Efficiency.

J Med Chem

November 2024

Department of Medicinal Chemistry, Key Laboratory of Chemical Biology (Ministry of Education), School of Pharmaceutical Sciences, Shandong University, 44 West Culture Road, Jinan, Shandong 250012, PR China.

Based on our proposed "pseudosubstrate envelope" concept, 25 benzothiazole-bearing HIV capsid protein (CA) modulators were designed and synthesized under the guidance of free energy perturbation technology. The most potent compound, , exhibited an EC of 2.69 nM against HIV-1, being 393 times more potent than the positive control PF74.

View Article and Find Full Text PDF

Discovery of Novel Amino Acids (Analogues)-Substituted Thiophene[3,2-]pyrimidine Derivatives as Potent HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors: Design, Synthesis, and Biological Evaluation.

Int J Mol Sci

August 2024

Key Laboratory of Chemical Biology (Ministry of Education), Department of Medicinal Chemistry, School of Pharmaceutical Sciences, Cheeloo College of Medicine, Shandong University, 44 West Culture Road, Jinan 250012, China.

Inspired by our previous work on the modification of diarylpyrimidine-typed non-nucleoside reverse transcriptase inhibitors (NNRTIs) and the reported crystallographic studies, a series of novel amino acids (analogues)-substituted thiophene[3,2-]pyrimidine derivatives were designed and synthesized by targeting the solvent-exposed region of the NNRTI-binding pocket. The biological evaluation results showed that compound was the most active inhibitor, exhibiting moderate-to-excellent potency against HIV-1 wild-type (WT) and a panel of NNRTI-resistant strains, with EC values ranging from 0.042 μM to 7.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!