Table 4. Impacts of selected epitopic missense variants on VEGFA structure and VEGFA-mAb interactions.
|
mAb |
VEGFA variants |
Structural changes |
Ab chain |
Surface area (Å2) |
No of bonds/interactions |
||||
|
Total |
Buried |
Van der Waals |
H-bond |
Weak Hbond |
Ionic interactions |
||||
|
BVZ |
WT |
- |
H |
12154.34 |
1959.45 |
11 |
18 |
20 |
4 |
|
- |
L |
12610.07 |
285.85 |
19 |
22 |
21 |
4 |
||
|
R82W |
Substitution triggers clash with increase in score by >18 |
H |
12159.2 |
1940.99 |
12 |
17 |
20 |
0 |
|
|
- |
L |
12621.1 |
276.35 |
19 |
18 |
20 |
0 |
||
|
R82Q |
No structural damage |
H |
12183.5 |
1925.85 |
13 |
17 |
19 |
0 |
|
|
- |
L |
12614.82 |
237.79 |
13 |
21 |
21 |
0 |
||
|
I83L |
No structural damage |
H |
12147.46 |
1965.06 |
12 |
18 |
20 |
3 |
|
|
- |
L |
12631.51 |
271.70 |
20 |
22 |
21 |
3 |
||
|
G88S |
No structural damage |
H |
12143.99 |
1977.2 |
11 |
19 |
17 |
3 |
|
|
- |
L |
12604.08 |
304.03 |
28 |
22 |
23 |
3 |
||
|
G92R |
No structural damage |
H |
12118.18 |
2058.02 |
13 |
19 |
19 |
5 |
|
|
- |
L |
12637.99 |
258.61 |
29 |
21 |
20 |
5 |
||
|
RBZ |
WT |
- |
H |
12320.04 |
1865.25 |
21 |
20 |
18 |
7 |
|
- |
L |
12523.96 |
355.36 |
40 |
26 |
29 |
3 |
||
|
R82W |
Substitution triggers clash with increase in score by > 18 |
H |
12297.67 |
1897.01 |
18 |
19 |
18 |
4 |
|
|
- |
L |
12531.93 |
339.97 |
37 |
24 |
27 |
0 |
||
|
R82Q |
No structural damage |
H |
12328.36 |
1885.26 |
19 |
19 |
17 |
4 |
|
|
- |
L |
12521.42 |
356.51 |
36 |
23 |
28 |
0 |
||
|
I83L |
No structural damage |
H |
12308 |
1884.36 |
22 |
20 |
18 |
7 |
|
|
- |
L |
12526.43 |
362.12 |
39 |
26 |
29 |
3 |
||
|
Q87R |
No structural damage |
H |
12341.59 |
1855.97 |
21 |
22 |
18 |
7 |
|
|
- |
L |
12514.19 |
373.06 |
37 |
26 |
28 |
3 |
||
|
G88S |
No structural damage |
H |
12401.37 |
1748.04 |
24 |
22 |
17 |
7 |
|
|
- |
L |
12523.77 |
315.08 |
42 |
26 |
30 |
3 |
||