ArticlePLoS computational biology2016
Evolutionary and Functional Relationships in the Truncated Hemoglobin Family.
Article in PLoS computational biology, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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Who cites it
18 citing papers in PubMed.
- A structure and function-based complete mutational map of human hemoglobin using AI.Frontiers in chemistry · 2026Article
- Extremophilic hemoglobins: The structure of Shewanella benthica truncated hemoglobin N.The Journal of biological chemistry · 2025Article
- Seqrutinator: scrutiny of large protein superfamily sequence datasets for the identification and elimination of non-functional homologues.Genome biology · 2024Article
- Bacterial cytochrome P450s: a bioinformatics odyssey of substrate discovery.Frontiers in microbiology · 2024Article
- Architectural digest: Thermodynamic stability and domain structure of a consensus monomeric globin.Biophysical journal · 2023Article
- Group II truncated haemoglobin YjbI prevents reactive oxygen species-induced protein aggregation ineLife · 2022Article
- Hydroxylamine-induced oxidation of ferrous nitrobindins.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2022Article
- Functional Classification and Characterization of the Fungal Glycoside Hydrolase 28 Protein Family.Journal of fungi (Basel, Switzerland) · 2022Article
- Review
- Article
- Lucina pectinata oxyhemoglobin (II-III) heterodimer pH susceptibility.Journal of inorganic biochemistry · 2020Article
- Distinctive structural properties of THB11, a pentacoordinate Chlamydomonas reinhardtii truncated hemoglobin with N- and C-terminal extensions.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2020Article
- Contribution of YjbIH to Virulence Factor Expression and Host Colonization inInfection and immunity · 2019Article
- Structure-function analysis of Sedolisins: evolution of tripeptidyl peptidase and endopeptidase subfamilies in fungi.BMC bioinformatics · 2018Article
- Peroxynitrite scavenging by Campylobacter jejuni truncated hemoglobin P.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2017Article
- Tertiary and quaternary structural basis of oxygen affinity in human hemoglobin as revealed by multiscale simulations.Scientific reports · 2017Article
- A quantitative model for oxygen uptake and release in a family of hemeproteins.Bioinformatics (Oxford, England) · 2016Article
- Allostery in the nitric oxide dioxygenase mechanism of flavohemoglobin.The Journal of biological chemistryArticle
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Predicting function from sequence is an important goal in current biological research, and although, broad functional assignment is possible when a protein is assigned to a family, predicting functional specificity with accuracy is not straightforward. If function is provided by key structural properties and the relevant properties can be computed using the sequence as the starting point, it should in principle be possible to predict function in detail. The truncated hemoglobin family presents an interesting benchmark study due to their ubiquity, sequence diversity in the context of a conserved fold and the number of characterized members. Their functions are tightly related to O2 affinity and reactivity, as determined by the association and dissociation rate constants, both of which can be predicted and analyzed using in-silico based tools. In the present work we have applied a strategy, which combines homology modeling with molecular based energy calculations, to predict and analyze function of all known truncated hemoglobins in an evolutionary context. Our results show that truncated hemoglobins present conserved family features, but that its structure is flexible enough to allow the switch from high to low affinity in a few evolutionary steps. Most proteins display moderate to high oxygen affinities and multiple ligand migration paths, which, besides some minor trends, show heterogeneous distributions throughout the phylogenetic tree, again suggesting fast functional adaptation. Our data not only deepens our comprehension of the structural basis governing ligand affinity, but they also highlight some interesting functional evolutionary trends.
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