Table 1. Examples of polar ratio in protein complexes.
Target | PDB p-p | Ratio p-p | Affinity | PDB p-sm | Ratio p-sm | Affinity | refs |
IL-2 | 1Z92 (A:B) | 0.35 | 10nM (Kd) | 1PY2 (A) | 0.21 | 60nM (IC50) | [27],[28] |
Bcl-XL | 2BZW (A:B) | 0.19 | 6nM (Kd) | 2YXJ (B) | 0.08 | 0.6nM | [29] |
MDM2 | 1YCR (A:B) | 0.14 | 600nM (Kd) | 1T4E (A) | 0.03 | 67nM (Kd) | [30],[31] |
XIAP | 1G3F (A:B) | 0.22 | 1TFT (A) | 0.12 | [32], [33] | ||
ZipA | 1F47 (B:A) | 0.10 | 21.6uM (Kd) | 1Y2F (A) | 0.00 | 12uM (Kd) | [34],[35] |
TNF | 1TNF (AB:C) | 0.30 | - | 2AZ5 (C&D) | 0.12 | 13uM | [36], [37] |
S100B | 1DT7 (A:X) | 0.34 | - | 3GK1 (A) | 0.12 | [38],[39] |
Polar ratio is the number of polar contacts divided by the total [polar + apolar] number of contacts. These protein complexes are for proteins that bind to both protein partners (ratio p-p, left) and synthetic small molecules (ratio p-sm, right). The PDB code includes the interacting chains, for example 1TNF(AB:C) denotes chain A and B interacting with chain C of the TNF trimer, whereas 2AZ5 (C&D) denotes chains C and D interacting with the small molecule. When available, affinity measure and units is specified in table.