Study : 071_tI_ORYSA (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: DAO_E_5(2ALG) / Model_14(2ALG/A) = [3.8] Download697.0437.38ITCGQVNSAVGPCLTYARGGGAGPSAACCNGVRSLKSAARTTADRRTACNCLKNAARGIKGLNAGNAASIPSKCGVSVPYTISASIDCSRVR
Complex: LPC_A_4(1BWO) / Model_16(1BWO/A) = [5.0] Download1656.5539.63ITCGQVNSAVGPCLTYARGGGAGPSAACCNGVRSLKSAARTTADRRTACNCLKNAARGIKGLNAGNAASIPSKCGVSVPYTISASIDCSRVR
Complex: OLA_A_2(1FK5) / Model_29(1FK5/A) = [5.9] Download1182.3546.04ITCGQVNSAVGPCLTYARGGGAGPSAACCNGVRSLKSAARTTADRRTACNCLKNAARGIKGLNAGNAASIPSKCGVSVPYTISASIDCSRVR
Complex: LPC_A_3(1BWO) / Model_16(1BWO/A) = [6.5] Download1367.7138.89ITCGQVNSAVGPCLTYARGGGAGPSAACCNGVRSLKSAARTTADRRTACNCLKNAARGIKGLNAGNAASIPSKCGVSVPYTISASIDCSRVR
Consensus
[pKd Mean = 5.30]
-1225
(s=348)
40
(s=3)
ITCGQVNSAVGPCLTYARGGGAGPSAACCNGVRSLKSAARTTADRRTACNCLKNAARGIKGLNAGNAASIPSKCGVSVPYTISASIDCSRVR