Table 1.
Features of select PPIs and their inhibitors.
| Interaction | Buried surface area (Å2) |
Complex affinity (µM) |
Inhibitor affinity (µM)a |
References |
|---|---|---|---|---|
| Tight and Wide | ||||
| HIV-1 Protease | 3224 | 0.004 | 2–3 | (66, 67, 70, 71) |
| HIV-1 Reverse Transcriptase | 2730 | 0.0004 | 0.56 | (68, 69, 73) |
| iNOS | 4650 | 0.01 | 0.0022 | (79, 147, 148) |
| β-catenin/Tcf4 | 4820 | 0.008 | 3–5 | (74–76, 149) |
| Hsp70/NEF | 2800 | 0.03 | ND | (120) |
| CD40L | 5850 | 0.008 | 25 | (83) |
| RGS4/Gα | 5090 | 0.005 | 4.2 | (90, 164) |
| TNFα | 2500 | 0.0002 | 22 | (84, 168, 169) |
| cMyc/Max | 3200 | 0.18 | 30 | (82, 177, 178) |
| Tight and Narrow | ||||
| IL-2/IL-2Rα | 1900 | 0.01 | 0.06 | (53, 150, 151) |
| HDM2/p53 (peptide) | 1498 | 0.1 | 0.005–0.067 | (56, 58, 152–154) |
| Bcl-2/BH3 (peptide) | <2500b | 0.2 | 0.0006–0.11 | (60, 155, 156) |
| HPV E1/E2 | ~2000c | 0.06 | 0.1 | (157, 158) |
| S100B/p53 | 1041 | 0.2 | 1 | (165–167) |
| XIAP/Caspase 9 | 2200 | 0.013 | 0.01 | (171–173) |
| LEDGF/Integrase | 1280 | 0.011 | 1 | (174–176) |
| CD28/B7.1 | 1255 | 0.2 | 0.004 | (179, 180) |
| Loose and Narrow | ||||
| Hsp70/Hsp40 | 1028 | 0.6 | ND | (118, 124) |
| Hsp90/TPR | 1000 | 0.3 | 0.4 | (121, 122, 140) |
| Hsp90/cdc37 | 1600 | 2.5 | ND | (135, 161) |
| Clathrin/Endolytic Ligand | <2500b | 1–100 | 12–18 | (99, 159, 160) |
| ZipA/FtsZ (peptide) | 1197 | 21.6 | 12 | (162, 163) |
| UL30/UL42 | 1087 | 1 | 12 | (170) |
| Loose and Wide | ||||
| Ras/SOS | 3600 | 3.6 | ND | (103, 104, 106) |
PPIs in the table represent all interactions contained in both the 2P2I (Ref. 50) and TIMBAL (Ref. 51) databases, as well as a select set of recent literary examples.
a
When direct binding data was not available, Ki or IC50 values were used instead.
b
The absolute value for surface area has not been described for these interactions. The values in the table are predictions based off of known structural information.
c
Predicted value (Ref. 157).