Image:M4SVF1 MERS.pdb
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M4SVF1_MERS.pdb (file size: 26 KB, MIME type: text/plain)
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(Drugabble genome of Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the strain of coronavirus that causes coronavirus disease 2019 (COVID-19), to find the therapeutic potential by using various in silico approaches. After successful physioch) |
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| + | <StructureSection load='M4SVF1_MERS.pdb' size='400' side='right' caption='M4SVF1_MERS Middle East Respiratory Syndrome Virus Uncharacterized Modelled Protein' scene='76/763091/M4svf1_mers_in_action/1'> | ||
== Summary == | == Summary == | ||
| - | + | Potential drugabble genome of Middle East Respiratory Syndrome Coronavirus (MERS-CoV), to find the therapeutic potential by using various in silico approaches. After successful physiochemical, stoichiometric and geometric characterization and screening of druggable candidates, on the basis of set parameters, potential drug target candidates present in the viral strain were selected for further analysis for final selection a drug candidate against the virus. To this aim molecular modeling was carried out to gain insights into active site and modeling was performed via web servers including SWISS-MODEL, GalaxyRefine, ModWeb, Phyre2. Models were optimized using GalaxyRefine and best modeled structures were selected and used for molecular docking studies. | |
This structure is one of four structures of an ongoing collaborative study. | This structure is one of four structures of an ongoing collaborative study. | ||
| + | |||
| + | == Function == | ||
| + | Unknown | ||
| + | |||
| + | == Source Database == | ||
| + | UniProt | ||
| + | |||
| + | accession: M4SVF1 | ||
| + | |||
| + | Gene Name: ORF5 | ||
| + | |||
| + | Amino Acid Length: 224 | ||
| + | |||
| + | == Physiochemical Characteristics == | ||
| + | |||
| + | Percentage of polar amino acids : 36.161% Percentage of non-polar amino acids: 63.839% | ||
| + | |||
| + | Theoretical Iso-electric pH: 8.477 | ||
| + | |||
| + | Molecular Weight: 25.246kDa | ||
| + | |||
| + | Hydrophob/Hydrophil_Index: 0.4661161 | ||
| + | |||
| + | Total VDW repulsion energy: 8.45043 kcal/mol | ||
| + | |||
| + | |||
| + | == Homology Modelling == | ||
| + | SWISS-MODEL | ||
| + | |||
| + | GalaxyRefine* | ||
| + | |||
| + | Phyre2 | ||
| + | |||
| + | * = model used | ||
| + | |||
== Licensing == | == Licensing == | ||
{{self|cc-by-3.0}} | {{self|cc-by-3.0}} | ||
Current revision
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| Date/Time | User | Dimensions | File size | Comment | |
|---|---|---|---|---|---|
| (current) | 12:32, 23 August 2020 | Folagbade Muyiwa Abitogun (Talk | contribs) | 26 KB | Drugabble genome of Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), the strain of coronavirus that causes coronavirus disease 2019 (COVID-19), to find the therapeutic potential by using various in silico approaches. After successful physioch |
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