Study : PA1899 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: AKD_A_4(3JUN) / Model_8(3JUN/A) = [3.1] Download1022.5742.04MREYQRLKGFTDNLELRRRNRATVEHYMRMKGAERLQRHSLFVEDGCAGNWTTESGEPLVFRGHESLRRLAEWLERCFPDWEWHNVRIFETEDPNHFWVECDGRGKALVPGYPQGYCENHYIHSFELENGRIKRNREFMNPMQKLRALGIAVPQIKRDGIPT
Complex: GOL_A_7(3FF0) / Model_1(3FF0/A) = [3.6] Download284.1827.64MREYQRLKGFTDNLELRRRNRATVEHYMRMKGAERLQRHSLFVEDGCAGNWTTESGEPLVFRGHESLRRLAEWLERCFPDWEWHNVRIFETEDPNHFWVECDGRGKALVPGYPQGYCENHYIHSFELENGRIKRNREFMNPMQKLRALGIAVPQIKRDGIPT
Complex: AKD_B_4(3JUP) / Model_18(3JUP/B) = [3.6] Download731.3734.57MREYQRLKGFTDNLELRRRNRATVEHYMRMKGAERLQRHSLFVEDGCAGNWTTESGEPLVFRGHESLRRLAEWLERCFPDWEWHNVRIFETEDPNHFWVECDGRGKALVPGYPQGYCENHYIHSFELENGRIKRNREFMNPMQKLRALGIAVPQIKRDGIPT
Complex: GOL_A_7(3FF0) / Model_29(3FF0/A) = [3.6] Download312.3927.64MREYQRLKGFTDNLELRRRNRATVEHYMRMKGAERLQRHSLFVEDGCAGNWTTESGEPLVFRGHESLRRLAEWLERCFPDWEWHNVRIFETEDPNHFWVECDGRGKALVPGYPQGYCENHYIHSFELENGRIKRNREFMNPMQKLRALGIAVPQIKRDGIPT
Complex: HHA_B_7(3CNM) / Model_23(3CNM/B) = [3.7] Download445.0029.55MREYQRLKGFTDNLELRRRNRATVEHYMRMKGAERLQRHSLFVEDGCAGNWTTESGEPLVFRGHESLRRLAEWLERCFPDWEWHNVRIFETEDPNHFWVECDGRGKALVPGYPQGYCENHYIHSFELENGRIKRNREFMNPMQKLRALGIAVPQIKRDGIPT
Consensus
[pKd Mean = 3.52]
-559
(s=280)
32
(s=5)
MREYQRLKGFTDNLELRRRNRATVEHYMRMKGAERLQRHSLFVEDGCAGNWTTESGEPLVFRGHESLRRLAEWLERCFPDWEWHNVRIFETEDPNHFWVECDGRGKALVPGYPQGYCENHYIHSFELENGRIKRNREFMNPMQKLRALGIAVPQIKRDGIPT