Study : bsu08590 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: DMS_A_7(5AI0) / Model_13(5AI0/A) = [3.5] Download358.8655.17MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ
Complex: K2T_A_6(5AI8) / Model_17(5AI8/A) = [3.6] Download519.1527.42MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ
Complex: 4XH_A_6(5AI6) / Model_16(5AI6/A) = [3.8] Download582.5635.53MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ
Complex: W9M_A_3(4C4X) / Model_5(4C4X/A) = [3.9] Download779.4447.65MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ
Complex: W9L_A_3(4C4Z) / Model_7(4C4Z/A) = [3.9] Download764.9932.57MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ
Consensus
[pKd Mean = 3.74]
-601
(s=157)
39
(s=10)
MDGVKCQFVNTNGITLHVAAAGREDGPLIVLLHGFPEFWYGWKNQIKPLVDAGYRVIAPDQRGYNLSDKPEGIDSYRIDTLRDDIIGLITQFTDEKAIVIGHDWGGAVAWHLASTRPEYLEKLIAINIPHPHVMKTVTPLYPPQWLKSSYIAYFQLPDIPEASLRENDYDTLDKAIGLSDRPALFTSEDVSRYKEAWKQPGALTAMLNWYRALRKGSLAEKPSYETVPYRMIWGMEDRFLSRKLAKETERHCPNGHLIFVDEASHWINHEKPAIVNQLILEYLKNQ