title: Dimerization of a flocculent protein from Moringa oleifera: experimental evidence and in silico interpretation.
abstract: Many proteins exist in dimeric and other oligomeric forms to gain stability and functional advantages. In this study, the dimerization property of a coagulant protein (MO2.1) from Moringa oleifera seeds was addressed through laboratory experiments, protein-protein docking studies and binding free energy calculations. The structure of MO2.1 was predicted by homology modelling, while binding free energy and residues-distance profile analyses provided insight into the energetics and structural factors for dimer formation. Since the coagulation activities of the monomeric and dimeric forms of MO2.1 were comparable, it was concluded that oligomerization does not affect the biological activity of the protein.
authors.affiliation: a Division of Bioprocess Technology , School of Biotechnology, Royal Institute of Technology (KTH) , 10691 , Stockholm , Sweden .
authors.forename: Asalapuram R
authors.initials: AR
authors.lastname: Pavankumar
authors.forename: Rajarathinam
authors.initials: R
authors.lastname: Kayathri
authors.forename: Natarajan A
authors.initials: NA
authors.lastname: Murugan
authors.forename: Qiong
authors.initials: Q
authors.lastname: Zhang
authors.forename: Vaibhav
authors.initials: V
authors.lastname: Srivastava
authors.forename: Chuka
authors.initials: C
authors.lastname: Okoli
authors.forename: Vincent
authors.initials: V
authors.lastname: Bulone
authors.forename: Gunaratna K
authors.initials: GK
authors.lastname: Rajarao
authors.forename: Hans
authors.initials: H
authors.lastname: Ågren
mesh_terms: D019295:Computational Biology; D003198:Computer Simulation; D062105:Molecular Docking Simulation; D029588:Moringa oleifera / Q000378:metabolism*; D010940:Plant Proteins / Q000737:chemistry* / Q000235:genetics; D011485:Protein Binding; D054730:Protein Interaction Domains and Motifs; D055503:Protein Multimerization; D011994:Recombinant Proteins / Q000737:chemistry / Q000235:genetics; D012639:Seeds / Q000378:metabolism*; D017386:Sequence Homology, Amino Acid; D013816:Thermodynamics
chemical_list: D010940:Plant Proteins; D011994:Recombinant Proteins