Study : 072_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_18(2ALG/A) = [4.0] Download780.5938.77AISCGQVNSAVSPCLSYARGGSGPSAACCSGVRSLNSAATTTADRRTACNCLKNVAGSISGLNAGNAASIPSKCGVSIPYTISPSIDCSSVN
Complex: LPC_A_4(1BWO) / Model_23(1BWO/A) = [5.2] Download1337.1339.15AISCGQVNSAVSPCLSYARGGSGPSAACCSGVRSLNSAATTTADRRTACNCLKNVAGSISGLNAGNAASIPSKCGVSIPYTISPSIDCSSVN
Complex: OLA_A_2(1FK5) / Model_10(1FK5/A) = [5.7] Download1314.0245.56AISCGQVNSAVSPCLSYARGGSGPSAACCSGVRSLNSAATTTADRRTACNCLKNVAGSISGLNAGNAASIPSKCGVSIPYTISPSIDCSSVN
Complex: LPC_A_3(1BWO) / Model_23(1BWO/A) = [6.9] Download1640.6639.07AISCGQVNSAVSPCLSYARGGSGPSAACCSGVRSLNSAATTTADRRTACNCLKNVAGSISGLNAGNAASIPSKCGVSIPYTISPSIDCSSVN
Consensus
[pKd Mean = 5.45]
-1268
(s=309)
40
(s=2)
AISCGQVNSAVSPCLSYARGGSGPSAACCSGVRSLNSAATTTADRRTACNCLKNVAGSISGLNAGNAASIPSKCGVSIPYTISPSIDCSSVN