Table 1.
Prediction of ΔG of docking of phosphorylated peptides from several β-TrCP substrates including the two reported sites in NRF2 [12,24,51,88]. β-TrCP1 (PDB code IP22) and to β-TrCP2 (PDB code 6WNX).
| β-TrCP1 ΔG(kcal/mol) | β-TrCP2 ΔG(kcal/mol) | |
|---|---|---|
| NRF2 (first site) | −14.08 ± 1.97 | −11.76 ± 2.93 |
| 333-PESTAEFNDSDpSGIpSLNTSPSVASPEHSVE-362 | ||
| NRF2 (second site; reported to bind β-TrCP as well) | −17.29 ± 2.71 | −17.52 ± 2.26 |
| 365-SYGDTLLGLSDSEVEELDpSAPGpSVKQNGPK-394 | ||
| β-CATENIN | −22.74 ± 3.11 | −21.61 ± 3.31 |
| 24-VSHWQQQSYLDpSGIHpSGATTTAPSLSGKGN-53 | ||
| hEpoR | −17.21 ± 2.71 | −15.31 ± 3.80 |
| 449-PPHLKYLYLVVSDpSGIpSTDYSSGDSQGAQG-478 | ||
| hFGD1 | −19.20 ± 2.67 | −23.57 ± 1.91 |
| 267-LAPGPRDGEKVPNRDpSGIDpSISSPSNSEET-296 | ||
| hGli2 | −12.67 ± 2.02 | −13.81 ± 3.21 |
| 667-SEPSPLGSAPNNDpSGVEMPGTGPGSLGDLT-696 | ||
| hIFNAR1 | −21.12 ± 2.83 | −19.00 ± 2.00 |
| 269-DHKKYSSQTSQDpSGNYpSNEDESESKTSEEV-298 | ||
| hIkBa | −22.56 ± 2.60 | −22.66 ± 2.03 |
| 19-GLKKERLLDDRHDpSGLDpSMKDEEYEQMVKE-48 | ||
| hMCL-1 | −12.35 ± 5.15 | −10.62 ± 4.19 |
| 145-ELVGESGNNTSTDGpSLPpSTPPPAEEEEDEL-174 | ||
| hPRLR | −18.30 ± 2.21 | −18.49 ± 2.34 |
| 336-QGMKPTYLDPDTDpSGRGpSCDSPSLLSEKCE-365 | ||
| hSNAIL3 | −21.65 ± 2.58 | −23.91 ± 2.31 |
| 83-PRVAELTSLSDEDpSGKGpSQPPSPPSPAPSS-112 | ||
| hSECURIN | −19.08 ± 2.60 | −22.57 ± 2.50 |
| 94-TEKTVKAKSSVPASDDAYPEIEKFFPFNPL-123 | ||
| hYAP | −12.44 ± 2.30 | −8.28 ± 2.27 |
| 390-LNSGTYHSRDESTDpSGLpSMSSYSVPRTPDD-419 |