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Shuvalova, L.

Publications and source records attributed to Shuvalova, L..

6 recordsLinked to original sources

Control of cell division by an Acinetobacter baumannii protein with a novel nucleotidyl-cyclase-like fold

The antibiotic-resistant pathogen Acinetobacter baumannii has diverged from model {psi}-proteobacteria in fundamental ways, complicating the development of new antimicrobial strategies. A major area of divergence is cell division. A. baumannii lacks several widely conserved division enzymes, such as FtsEX, and instead possesses a suite of atypical gene products with no similarity to well-characterized proteins. Key among these is AdvA, which we previously identified by Tn-seq as essential for A. baumannii division and fluoroquinolone resistance. The protein comprises an N-terminal transmembrane/periplasmic region connected to a C-terminal unannotated cytoplasmic domain, and most advA transposon insertions were lethal unless they occurred within the linker between these regions. The roles of AdvA in cell division and the basis for these positional transposon effects were unclear. Here, we combine mutagenesis with fluorescence localization, two-hybrid, and structural analyses to define how AdvA domains function in assembling and activating the A. baumannii divisome. AdvA depletion profoundly disrupts divisome construction at Z-rings. This dependence reflects numerous interactions with divisome proteins, with AdvAs N-terminal region binding multiple components and cytoplasmic domain binding one, the early protein ZipA. In addition, we identified substitutions in FtsB and FtsW that suppress AdvA essentiality, consistent with a role in divisome activation as well as recruitment. Finally, we determined the structure of the cytoplasmic domain, revealing a novel adenylyl/guanylyl cyclase-like fold that lacks canonical catalytic and dimerization sites and instead features a positively charged tip key to fluoroquinolone resistance and a C-terminal helix essential to division. The critical C-terminal structure helps explain the positional transposon effects and facilitated identification of a distant homolog in Pseudomonas aeruginosa. These results reveal a new control protein governing bacterial division that could be exploited to combat nosocomial infections. ImportanceThe multidrug-resistant sepsis pathogen Acinetobacter baumannii poses an urgent threat to public health. Fundamental features of its cell cycle, such as how it controls cell division, are not well understood, but this information could lead to improved antimicrobial strategies. We demonstrate that a protein (AdvA) bearing a previously unrecognized structure has a critical role in cell division and fluoroquinolone antibiotic resistance in the pathogen. The structure resembles the nucleotide cyclase class of enzymes, but it has lost the typical catalytic properties and instead uses novel sites to enable assembly and activation of the cell division machine. The novel fold is found in other pathogens such as Pseudomonas aeruginosa, in which it is also connected to drug resistance and cell division. This work opens new avenues to understand and interrupt cell division in multidrug-resistant hospital-acquired bacteria.

microbiology↗

Torsional Twist of the SARS-CoV and SARS-CoV-2 SUD-N and SUD-M domains

Coronavirus non-structural protein 3 (nsp3) forms hexameric crowns of pores in the double membrane vacuole that houses the replication-transcription complex. Nsp3 in SARS-like viruses has three unique domains absent in other coronavirus nsp3 proteins. Two of these, SUD-N (Macrodomain 2) and SUD-M (Macrodomain 3), form two lobes connected by a peptide linker and an interdomain disulfide bridge. We resolve the first complete x-ray structure of SARS-CoV SUD-N/M as well as a mutant variant of SARS-CoV-2 SUD-N/M modified to restore cysteines for interdomain disulfide bond naturally lost by evolution. Comparative analysis of all structures revealed SUD-N and SUD-M are not rigidly associated, but rather, have significant rotational flexibility. Phylogenetic analysis supports that the disulfide bond cysteines are also absent in pangolin-SARS and closely related viruses, consistent with pangolins being the presumed intermediate host in the emergence of SARS-CoV-2. The absence of these cysteines does not impact viral replication or protein translation.

microbiology↗

Structure of the Monkeypox profilin-like protein A42R reveals potential function differences from cellular profilins

The infectious disease human monkeypox is spreading rapidly in 2022 causing a global health crisis. The genomics of the monkeypox virus (MPXV) have been extensively analyzed and reported, although little is known about the virus-encoded proteome. In particular, there is almost no structure information about MPXV proteins, other than computational models. Here we report a 1.52 [A] x-ray structure of the MPXV protein A42R, the only MPXV-encoded protein with a known structure. This protein shows sequence similarity to profilins, which are cellular proteins known to function in regulation of actin cytoskeletal assembly. However, structural comparison of the A42R with known members of the profilin family reveals critical differences that support prior biochemical findings that this protein only weakly binds actin and does not bind poly(L-proline). In addition, the analysis suggests that this protein may have distinct interactions with phosphatidylinositol lipids. Overall, our data suggest that the role of A42R in replication of orthopoxviruses may not be easily determined by comparison to cellular profilins. Further, our findings support a need for increased efforts to determine high-resolution structures of other MPXV proteins to inform physiological studies of the poxvirus infection cycle and to reveal potential new strategies to combat human monkeypox should the infection become more common in the future.

microbiology↗

Mn2+ coordinates Cap-0-RNA to align substrates for efficient 2'-O-methyl transfer by SARS-CoV-2 nsp16

Capping viral messenger RNAs is essential for efficient translation and prevents their detection by host innate immune responses. For SARS-CoV-2, RNA capping includes 2'-O-methylation of the first ribonucleotide by methyltransferase nsp16 in complex with activator nsp10. The reaction requires substrates, a short RNA and SAM, and is catalyzed by divalent cations, with preference for Mn2+. Crystal structures of nsp16-nsp10 with capped RNAs revealed a critical role of metal ions in stabilizing interactions between ribonucleotides and nsp16, resulting in precise alignment of the substrates for methyl transfer. An aspartate residue that is highly conserved among coronaviruses alters the backbone conformation of the capped RNA in the binding groove. This aspartate is absent in mammalian methyltransferases and is a promising site for designing coronavirus-specific inhibitors.

microbiology↗

Structure of SARS-CoV-2 2'-O-methyltransferase heterodimer with RNA Cap analog and sulfates bound reveals new strategies for structure-based inhibitor design

There are currently no antiviral therapies specific against SARS-CoV-2, the virus responsible for the global pandemic disease COVID-19. To facilitate structure-based drug design, we conducted an X-ray crystallographic study of the nsp16/nsp10 2'-O-methyltransferase complex that methylates Cap-0 viral mRNAs to improve viral protein translation and to avoid host immune detection. Heterodimer structures are determined with the methyl donor S-adenosylmethionine (SAM), the reaction product S-adenosylhomocysteine (SAH) or the SAH analog sinefungin (SFG). Furthermore, structures of nsp16/nsp10 with the methylated Cap-0 analog (m7GpppA) and SAM or SAH bound were obtained. Comparative analysis revealed flexible loops in open and closed conformations at the m7GpppA binding pocket. Bound sulfates in several structures suggested the location of the phosphates in the ribonucleotide binding groove. Additional nucleotide binding sites were found on the face of the protein opposite the active site. These various sites and the conserved dimer interface could be exploited for development of antiviral inhibitors.

microbiology↗

The crystal structure of nsp10-nsp16 heterodimer from SARS CoV-2in complex with S-adenosylmethionine

SARS-CoV-2 is a member of the coronaviridae family and is the etiological agent of the respiratory Coronavirus Disease 2019. The virus has spread rapidly around the world resulting in over two million cases and nearly 150,000 deaths as of April 17, 2020. Since no treatments or vaccines are available to treat COVID-19 and SARS-CoV-2, respiratory complications derived from the infections have overwhelmed healthcare systems around the world. This virus is related to SARS-CoV-1, the virus that caused the 2002-2004 outbreak of Severe Acute Respiratory Syndrome. In January 2020, the Center for Structural Genomics of Infectious Diseases implemented a structural genomics pipeline to solve the structures of proteins essential for coronavirus replication-transcription. Here we show the first structure of the SARS-CoV-2 nsp10-nsp16 2-O-methyltransferase complex with S-adenosylmethionine at a resolution of 1.80 [A]. This heterodimer complex is essential for capping viral mRNA transcripts for efficient translation and to evade immune surveillance.

biochemistry↗