Study : 067_tI_ORYSA (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: DAO_E_5(2ALG) / Model_11(2ALG/A) = [3.8] Download744.6237.38ITCGQVNSAVGPCLTYARGGAGPSAACCSGVRSLKAAASSTADRRTACNCLKNAARGIKGLNAGNAASIPSKCGVSVPYTISASIDCSRVS
Complex: LPC_A_4(1BWO) / Model_16(1BWO/A) = [5.0] Download1725.7639.63ITCGQVNSAVGPCLTYARGGAGPSAACCSGVRSLKAAASSTADRRTACNCLKNAARGIKGLNAGNAASIPSKCGVSVPYTISASIDCSRVS
Complex: OLA_A_2(1FK5) / Model_29(1FK5/A) = [6.2] Download1317.2049.26ITCGQVNSAVGPCLTYARGGAGPSAACCSGVRSLKAAASSTADRRTACNCLKNAARGIKGLNAGNAASIPSKCGVSVPYTISASIDCSRVS
Complex: LPC_A_3(1BWO) / Model_16(1BWO/A) = [6.5] Download1682.6940.41ITCGQVNSAVGPCLTYARGGAGPSAACCSGVRSLKAAASSTADRRTACNCLKNAARGIKGLNAGNAASIPSKCGVSVPYTISASIDCSRVS
Consensus
[pKd Mean = 5.38]
-1367
(s=393)
41
(s=4)
ITCGQVNSAVGPCLTYARGGAGPSAACCSGVRSLKAAASSTADRRTACNCLKNAARGIKGLNAGNAASIPSKCGVSVPYTISASIDCSRVS