Table 4. Molecular interactions between key residues constituting the Fab 4B3:fHbp v1 epitope.
fHbp v1 | huFab 4B3 | CDR | Bond type |
---|---|---|---|
F141 F141 |
S31 Y32 |
H1 H1 |
Van der Waals Van der Waals |
D142 | S31 | H1 | hydrogen bond |
E146 E146 |
N52 S54 |
H2 H2 |
hydrogen bond hydrogen bond |
R149 | D93 | L3 | salt bridge |
D171 | F33 | L1 | Van der Waals |
A173 A173 A174 |
R102 N99 R102 |
H3 H3 H3 |
hydrogen bond hydrogen bond Van der Waals |
K175 K175 |
S31 N99 |
H1 H3 |
hydrogen bond hydrogen bond |
Q176 Q176 Q176 Q176 |
Y92 Y92 P32 R102 |
L3 L3 L1 H3 |
hydrogen bond, Van der Waals Van der Waals hydrogen bond |
A195 | T54 | L2 | hydrogen bond |
D197 D197 |
R102 Y50 |
H3 L2 |
salt bridge hydrogen bond |
K199 | T57 | L2 | hydrogen bond |
Q216 | R64 | - | hydrogen bond |
R204 | P28 | H1 | Van der Waals |
E218 | R55 | L2 | salt bridge |