Extended Data Table 2. Description of interactions between PfRH5 with basigin or monoclonal antibodies QA1 and 9AD4.
| a | ||||||
|---|---|---|---|---|---|---|
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| PfRH5 | Basigin | |||||
| Chain | Residue | Group | Chain | Residue | Group | Interaction |
| N-terminal domain: | ||||||
|
| ||||||
| A/C | S197 | side chain | B/D | Q100 | side chain NH2 | hydrogen bond |
|
| ||||||
| A/C | S197 | side chain | B/D | E84 | side chain | hydrogen bond |
|
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| A/C | F350 | side chain | B/D | hydrophobic | hydrophobic | |
|
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| A/C | N352 | side chain CO | B/D | N98 | backbone NH | hydrogen bond |
|
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| A/C | N354 | side chain NH2 | B/D | N98 | backbone CO | hydrogen bond |
|
| ||||||
| A/C | R357 | side chain | B/D | V26 | backbone CO | hydrogen bond |
|
| ||||||
| A/C | W447 | side chain | B/D | hydrophobic | hydrophobic | |
|
| ||||||
| A/C | W447 | backbone CO | B/D | T28 | backbone NH | hydrogen bond |
|
| ||||||
| A/C | R448 | side chain | B/D | T25 | side chain | hydrogen bond |
|
| ||||||
| A/C | T449 | side chain | B/D | V26 | backbone NH | hydrogen bond |
|
| ||||||
| A/C | T449 | backbone NH | B/D | V26 | backbone CO | hydrogen bond |
|
| ||||||
| Linker: | ||||||
|
| ||||||
| A/C | Y200 | side chain | B/D | H102 | side chain | hydrogen bond |
|
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| C-terminal domain: | ||||||
|
| ||||||
| A/C | hydrophobic | B/D | V131 | side chain | hydrophobic | |
|
| ||||||
| A | hydrophobic | B | P133 | side chain | hydrophobic | |
|
| ||||||
| A | D207 | side chain | B | Q164 | side chain NH2 | hydrogen bond |
|
| ||||||
| C | E362 | side chain | D | K191 | side chain | hydrogen bond |
|
| ||||||
| C | E362 | side chain | D | S190 | side chain | hydrogen bond |
| b | ||||||
|---|---|---|---|---|---|---|
|
| ||||||
| PfRH5 | QA1 | |||||
| Chain | Residue | Group | Chain | Residue | Group | Interaction |
| Heavy chain: | ||||||
|
| ||||||
| A/D | K196 | side chain | B/E | N101 | side chain CO | hydrogen bond |
|
| ||||||
| A/D | K196 | side chain | B/E | D31 | backbone CO | hydrogen bond |
| A/D | S197 | backbone NH | B/E | D53 | side chain | hydrogen bond |
|
| ||||||
| A/D | Y346 | side chain | B/E | Y33 | side chain | pi stacking |
|
| ||||||
| A/D | N348 | side chain CO | B/E | G105 | backbone NH | hydrogen bond |
|
| ||||||
| A/D | N352 | side chain | B/E | Y33 | side chain | hydrogen bond |
|
| ||||||
| A/D | N352 | side chain | B/E | Y59 | side chain | hydrogen bond |
|
| ||||||
| A/D | N354 | backbone NH | B/E | Y57 | side chain | hydrogen bond |
|
| ||||||
| A/D | K452 | side chain | B/E | D104 | side chain | hydrogen bond |
|
| ||||||
| Light chain: | ||||||
|
| ||||||
| A/D | N347 | side chain NH2 | C/F | S95 | backbone CO | hydrogen bond |
|
| ||||||
| A/D | N348 | backbone NH | C/F | Y36 | side chain | hydrogen bond |
|
| ||||||
| A/D | N349 | backbone NH | C/F | Y34 | side chain | hydrogen bond |
|
| ||||||
| A/D | N349 | side chain CO | C/F | W96 | side chain | hydrogen bond |
|
| ||||||
| A/D | F350 | side chain | C/F | hydrophobic | hydrophobic | |
|
| ||||||
| A/D | Q451 | backbone CO | C/F | Y34 | side chain | hydrogen bond |
| c | ||||||
|---|---|---|---|---|---|---|
|
| ||||||
| PfRH5 | 9AD4 | |||||
| Chain | Residue | Group | Chain | Residue | Group | Interaction |
| Heavy chain: | ||||||
|
| ||||||
| A | A205 | backbone CO | B | Y103 | backbone CO | hydrogen bond (H20) |
|
| ||||||
| A | F209 | side chain | B | hydrophobic | hydrophobic | |
|
| ||||||
| A | Y335 | side chain | B | Y103 | backbone CO | hydrogen bond |
|
| ||||||
| A | N338 | side chain CO | B | W107 | side chain | hydrogen bond |
|
| ||||||
| A | L339 | side chain | B | hydrophobic | hydrophobic | |
|
| ||||||
| A | E341 | side chain | B | S52 | side chain | hydrogen bond |
|
| ||||||
| A | E341 | side chain | B | M54 | backbone CO | hydrogen bond |
|
| ||||||
| A | E341 | side chain | B | A55 | backbone CO | hydrogen bond |
|
| ||||||
| A | E341 | side chain | B | Y56 | backbone CO | hydrogen bond |
|
| ||||||
| A | Q342 | side chain CO | B | N53 | side chain NH2 | hydrogen bond |
|
| ||||||
| A | hydrophobic | B | F101 | side chain | hydrophobic | |
|
| ||||||
| Light chain: | ||||||
|
| ||||||
| A | K212 | side chain | C | Y32 | backbone CO | hydrogen bond |
|
| ||||||
| A | D331 | side chain | C | Y32 | side chain | hydrogen bond |
|
| ||||||
| A | N334 | side chain NH2 | C | Y31 | side chain | hydrogen bond (H20) |