January 2013 issue
Cover illustration: Cover illustrations from each of the 20 years of Acta Cryst. D.
Acta Cryst. (2013). D69, 1
Acta Cryst. (2013). D69, 2-4
The importance of presenting macromolecular structures in unified, standard ways is discussed.
Acta Cryst. (2013). D69, 5-15
A novel crystal form of pyrrolysyl-tRNA synthetase reveals the pre- and post-aminoacyl-tRNA synthesis conformational states of the adenylate and aminoacyl moieties and an asparagine residue in the catalytic site
Structural snapshots of the pre- and post-aminoacyl-tRNA synthesis stages have been captured by X-ray crystallography of a novel crystal form of pyrrolysyl-tRNA synthetase.
PDB references: pyrrolysyl-tRNA synthetase complexes, 3vqw; 3vqx; 3vqy
Acta Cryst. (2013). D69, 16-23
The S. pyogenes ORF SPy1599, classified into CAZy family GH1, has been shown to display 6-phospho-β-glucosidase activity through a series of kinetics studies on aryl glycosides. The three-dimensional structure has been solved at 2.5 Å resolution from both twinned and untwinned crystal forms.
PDB references: SPy1599, 4b3k; 4b3l
Acta Cryst. (2013). D69, 24-31
The crystal structure of the metalloprotease Gentlyase is described and compared with the structures of other related thermolysin-like proteases.
PDB references: Gentlyase, peptide complex, 4ger; phosphoramidon complex, 4b52
Acta Cryst. (2013). D69, 32-43
Crystal structures of 2-aminophenol 1,6-dioxygenase, an enzyme that represents a minor group of extradiol dioxygenases and that catalyses the ring opening of 2-aminophenol, in complex with the lactone intermediate (4Z,6Z)-3-iminooxepin-2(3H)-one and the product 2-aminomuconic 6-semialdehyde and in complex with the suicide inhibitor 4-nitrocatechol are reported.
Acta Cryst. (2013). D69, 44-51
The structure of the deacetylase domain of Escherichia coli PgaB, an enzyme required for biofilm formation: a circularly permuted member of the carbohydrate esterase 4 family
Biofilm is an extracellular matrix created by many microorganisms, and a major problem in clinical and technical settings. The crystal structure reported here helps elucidate the synthesis of the major component of biofilm produced by Y. pestis and E. coli, and may assist in the development of agents to block it.
PDB reference: N-terminal domain of PgaB, 3vus
Acta Cryst. (2013). D69, 52-62
Structures of an active-site mutant of a plant 1,3-β-glucanase in complex with oligosaccharide products of hydrolysis
Two crystal structures of a plant endo-1,3-β-glucanase representing glycoside hydrolase family GH17 in complexes with products of laminarahexose hydrolysis reveal the protein–saccharide interactions at five key binding subsites for the first time. A trisaccharide is bound at subsites −3, −2 and −1 of the nonreducing end (glycon portion) in both structures, and in one structure an extra tetrasaccharide is bound at subsites +1 to +4 of the reducing end (aglycon portion).
Acta Cryst. (2013). D69, 63-73
The structure of a novel glucuronoyl esterase from Myceliophthora thermophila gives new insights into its role as a potential biocatalyst
The crystal structures of an M. thermophila glucuronoyl esterase (StGE2) and of its S213A mutant in the unliganded form and in complex with methyl 4-O-methyl-β-D-glucopyranuronate determined at 1.55, 1.90 and 2.35 Å resolution, respectively, are presented for the first time, disclosing the role of StGE2 as a potential biocatalyst.
Acta Cryst. (2013). D69, 74-81
Polarization-resolved second-harmonic generation microscopy as a method to visualize protein-crystal domains
Polarization-resolved second-harmonic generation microscopy is applied to the identification of multiple crystalline domains within protein-crystal samples.
Acta Cryst. (2013). D69, 82-91
High-resolution structures of AidH complexes provide insights into a novel catalytic mechanism for N-acyl homoserine lactonase
Crystal structures of the AHL-lactonase AidH in complex with substrate and product are reported at high resolution and a catalytic mechanism is proposed for the metal-independent AHL-lactonase.
Acta Cryst. (2013). D69, 92-104
Structure of a C-terminal AHNAK peptide in a 1:2:2 complex with S100A10 and an acetylated N-terminal peptide of annexin A2
Structure of a 20-amino-acid peptide of AHNAK bound asymmetrically to the AnxA2–S100A10A heterotetramer (1:2:2 symmetry) provides insights into the atomic level interactions that govern this membrane-repair scaffolding complex.
PDB reference: AHNAK peptide bound to AnxA2–S100A10 heterotetramer, 4ftg
Acta Cryst. (2013). D69, 105-113
Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi
Biogenic amine-binding proteins mediate the anti-inflammatory and antihemostatic activities of blood-feeding insect saliva. The structure of the amine-binding protein from R. prolixus reveals the interaction of biogenic amine ligands with the protein.
PDB references: amine-binding protein, 4get; complex with tryptamine, 4ge1; I25M/L134M mutant, 4hfo
Acta Cryst. (2013). D69, 114-120
The crystal structure of SOTI-III in complex with bovine pancreatic trypsin has been solved to 1.7 Å resolution.
Acta Cryst. (2013). D69, 121-125
The crystal structure analysis of the relative binding of cisplatin and carboplatin in a mixture with histidine in a protein studied at 100 and 300 K with repeated X-ray irradiation
The anticancer agents cisplatin and carboplatin bind to a free histidine in a protein. This crystal structure study at data-collection temperatures of 100 and 300 K examines their relative binding affinities to a histidine side chain and the effect of a high radiation dose on the stability of the subsequent protein–Pt adducts. Cisplatin binding is visible and carboplatin binding is not, indicating stronger binding of cisplatin.
PDB references: cisplatin/carboplatin mixture binding to HEWL, 4gcb; 4gcc; 4gcd; 4gce; 4gcf
Acta Cryst. (2013). D69, 126-136
Adenosine kinase from Schistosoma mansoni: structural basis for the differential incorporation of nucleoside analogues
The structural basis for differential nucleoside-analogue incorporation by S. mansoni and human adenosine kinase is revealed.
PDB references: SmAK–adenosine, 3vas; 3vaq; SmAK–Ado–AMP, 3uq6; SmAK–tubercidin, 3uq9; SmAK–2-fluoroadenosine, 4dc3
Acta Cryst. (2013). D69, 137-140
Selective X-ray-induced NO photodissociation in haemoglobin crystals: evidence from a Raman-assisted crystallographic study
NO photodissociation in a tetrameric haemoglobin has been detected via Raman microscopy on protein single crystals during X-ray diffraction data collection at different radiation doses.