Study : jhp_0740 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_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 C9_S1
Complex: GOL_B_10(3MIO) / Model_34(3MIO/B) = [3.1] Download409.76-37.88MILRRVTEALEAYKNGEMLIVMDDEDRENEGDLVLAGIFSTPEKINFMATHARGLICVSLTKDLANKFELPPMVSVNDSNHETAFTVSIDAKEAKTGISAFERHLTIELLCKDTTKPSDFVRPGHIFPLIAKDGGVLARTGHTEASVDLCKLAGLKPVSVICEIMKEDGSMARRGDKFLSDFAIKHNLKTLYVSDLISYRLENESLLKMFCQEEREFLKHQTQCYTFLDHQQKNHYAFKFKGAKTHDLAPLVRFHPIKEDFDFLTTGAFEAFFKALEYLKREGGYLIFMNTHSEQNNIVKDFGIGALVLKNLGVKDFRLLSSCEDRQYKALSGFGLKLVETISL
Complex: 5RP_D_4(1TKU) / Model_21(1TKU/B) = [3.1] Download810.46-0.74MILRRVTEALEAYKNGEMLIVMDDEDRENEGDLVLAGIFSTPEKINFMATHARGLICVSLTKDLANKFELPPMVSVNDSNHETAFTVSIDAKEAKTGISAFERHLTIELLCKDTTKPSDFVRPGHIFPLIAKDGGVLARTGHTEASVDLCKLAGLKPVSVICEIMKEDGSMARRGDKFLSDFAIKHNLKTLYVSDLISYRLENESLLKMFCQEEREFLKHQTQCYTFLDHQQKNHYAFKFKGAKTHDLAPLVRFHPIKEDFDFLTTGAFEAFFKALEYLKREGGYLIFMNTHSEQNNIVKDFGIGALVLKNLGVKDFRLLSSCEDRQYKALSGFGLKLVETISL
Complex: GOL_A_5(1K4O) / Model_37(1K4O/A) = [3.5] Download246.21-4.73MILRRVTEALEAYKNGEMLIVMDDEDRENEGDLVLAGIFSTPEKINFMATHARGLICVSLTKDLANKFELPPMVSVNDSNHETAFTVSIDAKEAKTGISAFERHLTIELLCKDTTKPSDFVRPGHIFPLIAKDGGVLARTGHTEASVDLCKLAGLKPVSVICEIMKEDGSMARRGDKFLSDFAIKHNLKTLYVSDLISYRLENESLLKMFCQEEREFLKHQTQCYTFLDHQQKNHYAFKFKGAKTHDLAPLVRFHPIKEDFDFLTTGAFEAFFKALEYLKREGGYLIFMNTHSEQNNIVKDFGIGALVLKNLGVKDFRLLSSCEDRQYKALSGFGLKLVETISL
Complex: 5RP_A_2(2RIU) / Model_6(2RIU/A) = [3.6] Download726.04-2.94MILRRVTEALEAYKNGEMLIVMDDEDRENEGDLVLAGIFSTPEKINFMATHARGLICVSLTKDLANKFELPPMVSVNDSNHETAFTVSIDAKEAKTGISAFERHLTIELLCKDTTKPSDFVRPGHIFPLIAKDGGVLARTGHTEASVDLCKLAGLKPVSVICEIMKEDGSMARRGDKFLSDFAIKHNLKTLYVSDLISYRLENESLLKMFCQEEREFLKHQTQCYTFLDHQQKNHYAFKFKGAKTHDLAPLVRFHPIKEDFDFLTTGAFEAFFKALEYLKREGGYLIFMNTHSEQNNIVKDFGIGALVLKNLGVKDFRLLSSCEDRQYKALSGFGLKLVETISL
Complex: 5SP_A_3(3LQU) / Model_13(3LQU/A) = [3.6] Download551.290.94MILRRVTEALEAYKNGEMLIVMDDEDRENEGDLVLAGIFSTPEKINFMATHARGLICVSLTKDLANKFELPPMVSVNDSNHETAFTVSIDAKEAKTGISAFERHLTIELLCKDTTKPSDFVRPGHIFPLIAKDGGVLARTGHTEASVDLCKLAGLKPVSVICEIMKEDGSMARRGDKFLSDFAIKHNLKTLYVSDLISYRLENESLLKMFCQEEREFLKHQTQCYTFLDHQQKNHYAFKFKGAKTHDLAPLVRFHPIKEDFDFLTTGAFEAFFKALEYLKREGGYLIFMNTHSEQNNIVKDFGIGALVLKNLGVKDFRLLSSCEDRQYKALSGFGLKLVETISL
Consensus
[pKd Mean = 3.38]
-548
(s=205)
-9
(s=14)
MILRRVTEALEAYKNGEMLIVMDDEDRENEGDLVLAGIFSTPEKINFMATHARGLICVSLTKDLANKFELPPMVSVNDSNHETAFTVSIDAKEAKTGISAFERHLTIELLCKDTTKPSDFVRPGHIFPLIAKDGGVLARTGHTEASVDLCKLAGLKPVSVICEIMKEDGSMARRGDKFLSDFAIKHNLKTLYVSDLISYRLENESLLKMFCQEEREFLKHQTQCYTFLDHQQKNHYAFKFKGAKTHDLAPLVRFHPIKEDFDFLTTGAFEAFFKALEYLKREGGYLIFMNTHSEQNNIVKDFGIGALVLKNLGVKDFRLLSSCEDRQYKALSGFGLKLVETISL