From: Structural basis for the inhibition of HIV-1 Nef by a high-affinity binding single-domain antibody
Titration schemea | K d | ΔG | ΔH | ΔS | T ΔS | n |
---|---|---|---|---|---|---|
(nM) | (kcal/mol) | (kcal/mol) | (kcal/mol/deg) | (kcal/mol) | ([..]/ [..]) | |
a.) SH3 B6 –Nef–sdAb19 complex formation | ||||||
SH3B6 to NefSF2b | 18.7 | −10.55 | −22.51 (±0.25) | −0.040 | −11.96 | 0.81 (±0.005) |
sdAb19 to NefSF2 | 38.6 | −10.11 | −11.62 (±0.005) | −0.005 | −1.51 | 0.81 (±0.002) |
b.) sdAb19 binding to Nef | ||||||
sdAb19 to myrNefSF2 | 32.7 | −10.20 | −14.97 (±0.22) | −0.016 | −4.77 | 0.81 (±0.006) |
sdAb19 to NefNL4–3 | 18.5 | −10.37 | −17.97 (±0.30) | −0.025 | −7.42 | 0.88 (±0.007) |
sdAb19 to NefNA7 | 118 | −9.45 | −12.82 (±0.12) | −0.011 | −3.34 | 0.74 (±0.004) |
sdAb19 to NefSF2 (∆ flex. loop) | 98 | −9.55 | −10.71 (±0.06) | −0.004 | −1.16 | 0.87 (±0.003) |
c.) sdAb19 mutant binding | ||||||
sdAb19 (G102R,S103E) to NefSF2 | 920 | −8.25 | −9.93 (±0.56) | −0.006 | −1.68 | 0.9 (±0.085) |
sdAb19 (D60R) to NefSF2 | 3700 | −7.40 | −3.38 (±0.56) | 0.014 | 4.02 | 0.74 (±0.009) |
sdAb19 (triple) to NefSF2 | – | – | – | – | – | – |
d.) Nef SF2 mutant binding | ||||||
sdAb19 to NefSF2 (K148E) | 1700 | −7.86 | −8.77 (±0.26) | −0.003 | −0.89 | 0.74 (±0.015) |
sdAb19 to NefSF2 (M198K) | – | – | – | – | – | – |
sdAb19 to NefSF2 (L202K) | – | – | – | – | – | – |
e.) Neffin binding to Nef | ||||||
Neffin to NefSF2 | 1.6 | −12.02 | −38.26 (±0.17) | −0.088 | −26.23 | 0.66 (±0.001) |
Neffin to NefNL4–3 | 3.9 | −11.49 | −33.19 (±0.20) | −0.073 | −21.71 | 0.65 (±0.002) |
Neffin to NefNA7 | 14.4 | −10.72 | −34.69 (±0.12) | −0.080 | −23.97 | 0.67 (±0.001) |
Neffin (triple) to NefSF2 | 23.3 | −10.41 | −18.13 (±0.12) | −0.026 | −7.72 | 1.08 (±0.004) |