Table 1.
Epitope | Paratope | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Ligand | Kd (nM) | ΔG (kcal/mol) | # of atoms1 | Ligand Efficiency | Area (Å2) | # of atoms1 | Efficiency | Area (Å2) | SC2 | Planarity |
cAb-RN05 | ||||||||||
WT | 23 | 10.3 | 46 | 0.22 | 589 | 47 | 0.22 | 613 | 0.76 | 2.13 |
matured | 0.15 | 13.2 | 63 | 0.21 | 562 | 51 | 0.26 | 592 | 0.78 | 2.02 |
Other VHH | ||||||||||
D3-L11 (1ZVY) | 0.14 | 13.3 | 43 | 0.31 | 729 | 58 | 0.23 | 649 | 0.77 | 2.43 |
D2-L29 (1ZV5) | 10 | 10.8 | 45 | 0.24 | 759 | 60 | 0.18 | 634 | 0.75 | 2.88 |
cAb-Lys3 (1JTT) | 7.5 | 10.9 | 68 | 0.16 | 690 | 54 | 0.20 | 793 | 0.75 | 3.3 |
cAb-Lys2 (1RI8) | 0.077 | 13.6 | 52 | 0.26 | 795 | 67 | 0.20 | 771 | 0.71 | 3.08 |
D2-L19 (1RJC) | 3 | 11.5 | 59 | 0.19 | 741 | 60 | 0.19 | 644 | 0.79 | 2.88 |
D2-L24 (1ZVH) | 80 | 9.5 | 63 | 0.15 | 528 | 51 | 0.19 | 593 | 0.82 | 1.65 |
cAb-Hu6 (1OP9) | 0.7 | 12.3 | 45 | 0.27 | 556 | 43 | 0.29 | 577 | 0.76 | 1.61 |
Small molecule | ||||||||||
SP4206-IL2R (1PY2) | 68.8 | 9.6 | 44 | 0.22 | 422 | 30 | 0.32 | 572 | 0.77 | 2.01 |
Atoms within 4Å of the binding partner.
Surface complementarity.21