Dataset Information

Molecular evolution of gas cavity in [NiFeSe] hydrogenases resurrected in silico.

ABSTRACT: Oxygen tolerance of selenium-containing [NiFeSe] hydrogenases (Hases) is attributable to the high reducing power of the selenocysteine residue, which sustains the bimetallic Ni-Fe catalytic center in the large subunit. Genes encoding [NiFeSe] Hases are inherited by few sulphate-reducing ?-proteobacteria globally distributed under various anoxic conditions. Ancestral sequences of [NiFeSe] Hases were elucidated and their three-dimensional structures were recreated in silico using homology modelling and molecular dynamic simulation, which suggested that deep gas channels gradually developed in [NiFeSe] Hases under absolute anaerobic conditions, whereas the enzyme remained as a sealed edifice under environmental conditions of a higher oxygen exposure risk. The development of a gas cavity appears to be driven by non-synonymous mutations, which cause subtle conformational changes locally and distantly, even including highly conserved sequence regions.

SUBMITTER: Tamura T

PROVIDER: S-EPMC4730141 | biostudies-literature | 2016 Jan

REPOSITORIES: biostudies-literature

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Molecular evolution of gas cavity in [NiFeSe] hydrogenases resurrected in silico.

Tamura Takashi T Tsunekawa Naoki N Nemoto Michiko M Inagaki Kenji K Hirano Toshiyuki T Sato Fumitoshi F

Scientific reports 20160128

Oxygen tolerance of selenium-containing [NiFeSe] hydrogenases (Hases) is attributable to the high reducing power of the selenocysteine residue, which sustains the bimetallic Ni-Fe catalytic center in the large subunit. Genes encoding [NiFeSe] Hases are inherited by few sulphate-reducing δ-proteobacteria globally distributed under various anoxic conditions. Ancestral sequences of [NiFeSe] Hases were elucidated and their three-dimensional structures were recreated in silico using homology modellin ...[more]

PMID: 26818780

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Project description:Following the abolishment of dual nomenclature, Stilbospora is recognised as having priority over Prosthecium. The type species of Stilbospora, S. macrosperma, is the correct name for P. ellipsosporum, the type species of Prosthecium. The closely related genus Stegonsporium is maintained as distinct from Stilbospora based on molecular phylogeny, morphology and host range. Stilbospora longicornuta and S. orientalis are described as new species from Carpinus betulus and C. orientalis, respectively. They differ from the closely related Stilbospora macrosperma, which also occurs on Carpinus, by longer, tapering gelatinous ascospore appendages and by distinct LSU, ITS rDNA, rpb2 and tef1 sequences. The asexual morphs of Stilbospora macrosperma, S.longicornuta and S. orientalis are morphologically indistinguishable; the connection to their sexual morphs is demonstrated by morphology and DNA sequences of single spore cultures derived from both ascospores and conidia. Both morphs of the three Stilbospora species on Carpinus are described and illustrated. Other species previously recognised in Prosthecium, specifically P.acerophilum, P. galeatum and P. opalus, are determined to belong to and are formally transferred to Stegonsporium. Isolates previously recognised as Stegonsporium pyriforme (syn. Prosthecium pyriforme) are determined to consist of three phylogenetically distinct lineages by rpb2 and tef1 sequence data, two of which are described as new species (S. protopyriforme, S. pseudopyriforme). Stegonsporium pyriforme is lectotypified and this species and Stilbospora macrosperma are epitypified. Based on DNA sequence data, the North American Stegonsporium acerophilum is recorded from Europe for the first time, and new hosts from Acer sect. Acer are reported for S. opalus and S. pyriforme. Stilbospora and Stegonsporium are classified within the revived family Stilbosporaceae. Prosthecium appendiculatum, P. auctum and P. innesii are shown to be unrelated to the Stilbosporaceae and are recognised in three distinct genera, Phaeodiaporthe appendiculata, Alnecium auctum n. gen. and Calosporella innesii within Diaporthaceae, Gnomoniaceae and Sydowiellaceae, respectively. The generic types of these three monotypic genera are briefly described, illustrated and lecto- and epitypfied.

Dataset Information

Molecular evolution of gas cavity in [NiFeSe] hydrogenases resurrected in silico.

Publications

Molecular evolution of gas cavity in [NiFeSe] hydrogenases resurrected in silico.

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