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. 2012 Dec 11;7(12):e51742. doi: 10.1371/journal.pone.0051742

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.