forthcoming articles

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section F: Structural Biology Communications.

See also Forthcoming articles in all IUCr journals.

Accepted 13 February 2019

Crystal structure of Cydia pomonella granulovirus PTP-2

The crystal structure of the betabaculovirus Cydia pomonella granulovirus protein phosphatase PTP-2 has been determined at 1.65 Å resolution. The structure shows that the molecule has a typical protein phosphatase fold with a unique β-sheet extension at the C-terminus.

Accepted 10 February 2019

Expression, purification and crystallization of Pseudomonas aeruginosa esterase PA2949, a bacterial homologue of human membrane esterase ABHD6

Homologous expression of a membrane-bound esterase PA2949 from P. aeruginosa PA01 and purification of detergent solubilized enzyme resulted in stable PA2949 protein which crystalized. Obtained crystals diffracting to a resolution of 2.74 Å were used for X-ray analysis.

Accepted 31 January 2019

Perdeuteration, large crystal growth and neutron data collection of Leishmania mexicana triose-phosphate isomerase variant E65Q

The perdeuteration, large crystal growth and neutron diffraction data collection of L. mexicana triose-phosphate isomerase variant E65Q are described.

Accepted 30 January 2019

Putative polysaccharide de­acetylase Ba0331: cloning, expression, crystallization and structure determination

The crystal structure of Ba0331, a putative polysaccharide deacetylase from Bacillus anthracis, was determined in the present study. The structure is comprised of two domains: a fibronectin type 3-like domain and a NodB catalytic domain.

Accepted 30 January 2019

The structure of lipopolysaccharide transport protein B (LptB) from Burkholderia pseudomallei

The structure of a lipopolysaccharide transport protein B (LptB) is reported. Comparisons with LptB from different bacterial species reveal that the dimeric assembly is independent of interaction with the rest of the transport machinery and that significant sequence and structural conservation occurs where LptB interacts with its physiological partners.

Accepted 25 January 2019

BacMam production and crystal structure of nonglycosylated apo human furin at 1.89 Å resolution

The production of nonglycosylated human furin ectodomain via the BacMam expression system is reported. The protein is equally active compared with the glycosylated protein and is readily crystallized; X-ray diffraction was used to solve a high-resolution structure.

Accepted 22 January 2019

Substrate-analogue complex structure of Mycobacterium tuberculosis decaprenyl diphosphate synthase

The structure of a complex of M. tuberculosis decaprenyl diphosphate synthase with geranyl S-thiodiphosphate and isopentenyl S-thiodiphosphate was refined to 1.55 Å resolution. It not only shows the magnesium-coordinated configuration for catalysis but also suggests a pathway for product translocation as well as a direction for inhibitor design.

Accepted 22 January 2019

The structure of an iron-containing alcohol de­hydrogenase from a hyperthermophilic archaeon in two chemical states

The structure of a homodimeric, iron-containing alcohol dehydrogenase from a thermophile that utilizes NADP as its coenzyme was solved in three crystal forms. In two crystals one subunit of the asymmetric unit was occupied by NADP and the other was not, while in the third crystal no NADP or iron was present. The coenzyme is encapsulated in a tunnel that penetrates through the molecule, and the iron is totally sequestered.

Accepted 16 January 2019

Neutron and X-ray analysis of the Fenna–Matthews–Olson photosynthetic antenna complex from Prosthecochloris aestuarii

Large crystals of the Fenna–Matthews–Olson protein from P. aestuarii were grown in a new H3 space group that permitted room-temperature neutron diffraction data collection to 2.2 Å resolution.

Accepted 16 January 2019

Crystal structure of the type VI immunity protein Tdi1 (Atu4351) from Agrobacterium tumefaciens

The crystal structure of Tdi1 (Atu4351) from A. tumefaciens is composed of a GAD-like domain and an inserted DUF1851 domain.

Accepted 16 January 2019

The structure of CgnJ, a domain of unknown function protein from the crocagin gene cluster

The domain of unknown function protein CgnJ from the crocagin-biosynthetic gene cluster has no sequence homologues in the Protein Data Bank, but is a structural homologue of ComJ. CgnJ appears to bind the natural product crocagin with weak affinity. This structural homology may imply a function for CgnJ.

Accepted 9 January 2019

Crystal structure of the legume lectin-like domain of an ERGIC-53-like protein from Entamoeba histolytica

The structure of the legume lectin-like domain of an ERGIC-53-like protein from E. histolytica is reported. ERGIC-53-like proteins are type I membrane proteins that belong to the class of intracellular cargo receptors and are known to be indispensable for the secretion of glycoproteins.

Accepted 5 January 2019

Neutron crystallographic study of heterotrimeric glutamine amidotransferase CAB

Heterotrimeric glutamine amidotransferase CAB (GatCAB) possesses an ammonia-self-sufficient mechanism in which ammonia is produced and used in the inner complex by GatA and GatB, respectively. Here, GatCAB crystals were successfully grown to a volume of ∼1.8 mm3, neutron diffraction data were collected and the neutron structure was solved.

Accepted 4 January 2019

Preparation of stable recombinant Osm1 noncovalently bound with flavin adenosine dinucleotide cofactor for structural study

Osm1, a soluble fumarate reductase from Saccharomyces cerevisiae, was purified and crystallized. The crystals were found to belong to space group P21, with unit-cell parameters a = 43.88, b = 109.32, c = 49.93 Å, β = 112.25°. Crystals were obtained at 293 K and diffracted to a resolution of 1.75 Å.

Accepted 4 January 2019

BLASTing away preconceptions in crystallization trials

The reported crystallization cocktails from the REMARK 280 fields of Protein Data Bank entries are compared for similar proteins.

Accepted 2 January 2019

Structure of glycerol de­hydrogenase (GldA) from Escherichia coli

The crystal structure of the heat-stable glycerol dehydrogenase from E. coli was solved at 2.79 Å resolution and compared with those of glycerol dehydrogenases from other organisms.

Accepted 28 December 2018

Crystallization of the human tetraspanin protein CD9

A method to obtain improved crystals of the human tetraspanin protein CD9 by protein modification is described.

Accepted 26 December 2018

Carbonic anhydrase II in complex with carboxylic acid-based inhibitors

X-ray crystal structures of carbonic anhydrase II (CA II) in complex with nicotinic acid and ferulic acid are presented. Previously deposited structures of CA II in complex with carboxylic acid-based compounds are compared and the general mechanisms of CA inhibition are discussed.

Accepted 20 December 2018

An assessment of three human methylene­tetra­hydrofolate de­hydrogenase/cyclo­hydrolase–ligand complexes following further refinement

Further refinement of three methylenetetrahydrofolate dehydrogenase/cyclohydrolase–antifolate inhibitor complexes in the Protein Data Bank has produced models that allow a critical reassessment of ligand placement. One complex has a well ordered ligand in a catalytic site and the model provides an improved description of enzyme–inhibitor interactions. One ligand may adopt two conformations in the binding site rather than the single conformation described previously. There is no evidence to support the incorporation of the third compound in the model. Interpretation of the data supports a correlation between the models and the inhibition activity for two of the compounds. In the case of the third, inconsistencies were noted that would need to be addressed by further work.

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