Figure 3 in Molecular analysis of DHFR and DHPS gene mutations in Plasmodium cynomolgi from humans and macaques in Southeast Asia
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2025
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| author | Sangsri, Raweewan Jongkon, Nathjanan Choowongkomon, Kiattawee Malaivijitnond, Suchinda Day, Nicholas P.J. Dondorp, Arjen M. Imwong, Mallika |
| author_facet | Sangsri, Raweewan Jongkon, Nathjanan Choowongkomon, Kiattawee Malaivijitnond, Suchinda Day, Nicholas P.J. Dondorp, Arjen M. Imwong, Mallika |
| contents | Figure 3. (A) Illustration H-bonding of the docked PcyDHFR-PYR complex of 3 variants P. cynomolgi. Contact residues are shown in the sticks with grey (wild-type), cyan (human), and light green (macaque). The H bonds are represented in grey, cyan, and yellow dashed lines for wild-type, human, and macaque variants, respectively. A unique hydrogen bond forming residues of the human variant is highlighted in the blue box. (B) Display RMSD analysis of the docked complex through molecular simulations. The last 20 ns were selected for further analysis, indicated in the grey area. (C) Heatmap of the hydrogen occupancy at 81–100 ns of simulation. The amino acids with unique hydrogen occupancy are shown in the square box with their occupancy percentages. |
| format | Recurso digital |
| id | zenodo_https___doi_org_10_5281_zenodo_20242329 |
| institution | Zenodo |
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| publishDate | 2025 |
| publisher | Zenodo |
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| spellingShingle | Figure 3 in Molecular analysis of DHFR and DHPS gene mutations in Plasmodium cynomolgi from humans and macaques in Southeast Asia Sangsri, Raweewan Jongkon, Nathjanan Choowongkomon, Kiattawee Malaivijitnond, Suchinda Day, Nicholas P.J. Dondorp, Arjen M. Imwong, Mallika Biodiversity Taxonomy Figure 3. (A) Illustration H-bonding of the docked PcyDHFR-PYR complex of 3 variants P. cynomolgi. Contact residues are shown in the sticks with grey (wild-type), cyan (human), and light green (macaque). The H bonds are represented in grey, cyan, and yellow dashed lines for wild-type, human, and macaque variants, respectively. A unique hydrogen bond forming residues of the human variant is highlighted in the blue box. (B) Display RMSD analysis of the docked complex through molecular simulations. The last 20 ns were selected for further analysis, indicated in the grey area. (C) Heatmap of the hydrogen occupancy at 81–100 ns of simulation. The amino acids with unique hydrogen occupancy are shown in the square box with their occupancy percentages. |
| title | Figure 3 in Molecular analysis of DHFR and DHPS gene mutations in Plasmodium cynomolgi from humans and macaques in Southeast Asia |
| topic | Biodiversity Taxonomy |
| url | https://doi.org/10.5281/zenodo.20242329 |