title: In silico Identification of Ergosterol as a Novel Fungal Metabolite Enhancing RuBisCO Activity in Lycopersicum esculentum.
abstract: RuBisCO (EC 4.1.1.39), a key enzyme found in stroma of chloroplast, is important for fixing atmospheric CO2 in plants. Alterations in the activity of RuBisCO could influence photosynthetic yield. Therefore, to understand the activity of the protein, knowledge about its structure is pertinent. Though the structure of Nicotiana RuBisCO has been modeled, the structure of tomato RuBisCO is still unknown. RuBisCO extracted from chloroplasts of tomato leaves was subjected to MALDI-TOF-TOF followed by Mascot Search. The protein sequence based on gene identification numbers was subjected to in silico model construction, characterization and docking studies. The primary structure analysis revealed that protein was stable, neutral, hydrophilic and has an acidic pI. The result though indicates a 90 % homology with other members of Solanaceae but differs from the structure of Arabidopsis RuBisCO. Different ligands were docked to assess the activity of RuBisCO against these metabolite components. Out of the number of modulators tested, ergosterol had the maximum affinity (E = -248.08) with RuBisCO. Ergosterol is a major cell wall component of fungi and has not been reported to be naturally found in plants. It is a known immune elicitor in plants. The current study throws light on its role in affecting RuBisCO activity in plants, thereby bringing changes in the photosynthetic rate.
authors.affiliation: Amity Institute of Biotechnology, Amity University Uttar Pradesh, Sector-125, Noida, 201303, India.
authors.forename: Joyeeta
authors.initials: J
authors.lastname: Mitra
authors.affiliation: Amity Institute of Biotechnology, Amity University Uttar Pradesh, Sector-125, Noida, 201303, India.
authors.forename: Priyanka
authors.initials: P
authors.lastname: Narad
authors.affiliation: Amity Institute of Biotechnology, Amity University Uttar Pradesh, Sector-125, Noida, 201303, India.
authors.forename: Abhishek
authors.initials: A
authors.lastname: Sengupta
authors.affiliation: Department of Botany, University of Delhi, Delhi, 110007, India.
authors.forename: P D
authors.initials: PD
authors.lastname: Sharma
authors.affiliation: Amity Institute of Biotechnology, Amity University Uttar Pradesh, Sector-125, Noida, 201303, India. prabir_kp@rediffmail.com.
authors.forename: P K
authors.initials: PK
authors.lastname: Paul
mesh_terms: D004789:Enzyme Activation / Q000187:drug effects; D004875:Ergosterol / Q000737:chemistry / Q000494:pharmacology*; D005658:Fungi / Q000378:metabolism*; D018551:Solanum lycopersicum / Q000201:enzymology*; D010788:Photosynthesis / Q000187:drug effects; D012273:Ribulose-Bisphosphate Carboxylase / Q000378:metabolism*; D019032:Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization
chemical_list: D012273:Ribulose-Bisphosphate Carboxylase; D004875:Ergosterol
keywords: Docking; Ergosterol; MALDI-TOF–TOF; Modeling; RuBisCO; Tomato