Study : 292_tI_NICGL (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_21(2ALG/A) = [4.2] Download620.6527.90AISCGQVVSSLTPCISYVTKGGAIPAPCCNGIESLNNQATSTPDRQTACNCIKSAAASIKGINFSLAGSLPGKCGVNLPYKISPSIDCSTVQ
Complex: LPC_A_4(1BWO) / Model_26(1BWO/A) = [4.7] Download1115.5739.77AISCGQVVSSLTPCISYVTKGGAIPAPCCNGIESLNNQATSTPDRQTACNCIKSAAASIKGINFSLAGSLPGKCGVNLPYKISPSIDCSTVQ
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.1] Download1114.3137.04AISCGQVVSSLTPCISYVTKGGAIPAPCCNGIESLNNQATSTPDRQTACNCIKSAAASIKGINFSLAGSLPGKCGVNLPYKISPSIDCSTVQ
Complex: LPC_A_3(1BWO) / Model_26(1BWO/A) = [6.7] Download1769.3034.90AISCGQVVSSLTPCISYVTKGGAIPAPCCNGIESLNNQATSTPDRQTACNCIKSAAASIKGINFSLAGSLPGKCGVNLPYKISPSIDCSTVQ
Consensus
[pKd Mean = 5.17]
-1154
(s=408)
34
(s=4)
AISCGQVVSSLTPCISYVTKGGAIPAPCCNGIESLNNQATSTPDRQTACNCIKSAAASIKGINFSLAGSLPGKCGVNLPYKISPSIDCSTVQ