Table 1.
Total IFIEs (IFIE sums) in complexes between MVH and three types of receptors, SLAM, Nectin-4, and CD46.
| Receptor | SLAM | Nectin-4 | CD46 |
|---|---|---|---|
| Protein Data Bank (PDB) code | 3ALZ | 4GJT | 3INB |
| Chain designation in PDB | Chain B (3) | Chain B (4) | Chain D (5) |
| Receptor charge (1) | +2 | −5 | −4 |
| MVH charge (2) | −1 | −2 | −2 |
| Total IFIE (kcal/mol) | −707.7 | −173.8 | −285.7 |
(1) Electric charges of receptor chains in the complexes with MVH employed in the FMO calculations; (2) Electric charges of MVH are different according to the amino-acid sequences of employed PDB structures; (3) Chain B of SLAM receptor complexed with MVH monomer (Chain A) in PDB structure of 3ALZ; (4) Chain B of Nectin-4 receptor complexed with MVH monomer (Chain A) in PDB structure of 4GJT; (5) Chain D of CD46 receptor complexed with Chain A of MVH dimer in PDB structure of 3INB.