Study : Lmo0184 (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: TRS_A_2(4M8U) / Model_2(4M8U/A) = [3.1] Download351.347.84MKEKDWWKKSVVYQIYPKSFNDSNGDGVGDIQGIIEKLDYLKELGVDVIWLSPVYDSPQDDNGYDIRDYQKIYEEYGDMATFDQLLQGLHDRDMKLVMDLVVNHTSDEHKWFEESRKSKDNPYRDYYFWREENEINNWGSIFSGPAWELDEKTGEYYLHLFSKKQPDLNWENPKLRQDVYNMMKFWLDKGIDGFRMDVINFISKNTDFPDGPVPDGQIYGDAGNDFCNGPRIHEFLQEMNQEVTSKYDVMTVGEMPGASTTDAQIYTNPANNEVDMIFTFEHMNLDSDSDNKWDLKPIYLPDLKENMSEWQVALQENGWNSLYWNNHDQPRIVSRFGNDNRFRVRSAKMLATCLHMMKGTPYIYQGEEIGMTNVHFETLDDYRDIETLNMYKERKEQGHSHESIMQSIYTKGRDNARTPYQWDNSENAGFTTGTPWLKVNPRYTEINNEEALKNPDSIFYYYQNLIKLRKTTEIITTGNYRLLLPKDEAIFAYERYTENEKLVVLCNFTEEEQVISDETILNEIQKGSVLVNNVPNIIEGTLRPYEAIVYQIK
Complex: GOL_A_3(4HOW) / Model_9(4HOW/A) = [3.1] Download188.853.19MKEKDWWKKSVVYQIYPKSFNDSNGDGVGDIQGIIEKLDYLKELGVDVIWLSPVYDSPQDDNGYDIRDYQKIYEEYGDMATFDQLLQGLHDRDMKLVMDLVVNHTSDEHKWFEESRKSKDNPYRDYYFWREENEINNWGSIFSGPAWELDEKTGEYYLHLFSKKQPDLNWENPKLRQDVYNMMKFWLDKGIDGFRMDVINFISKNTDFPDGPVPDGQIYGDAGNDFCNGPRIHEFLQEMNQEVTSKYDVMTVGEMPGASTTDAQIYTNPANNEVDMIFTFEHMNLDSDSDNKWDLKPIYLPDLKENMSEWQVALQENGWNSLYWNNHDQPRIVSRFGNDNRFRVRSAKMLATCLHMMKGTPYIYQGEEIGMTNVHFETLDDYRDIETLNMYKERKEQGHSHESIMQSIYTKGRDNARTPYQWDNSENAGFTTGTPWLKVNPRYTEINNEEALKNPDSIFYYYQNLIKLRKTTEIITTGNYRLLLPKDEAIFAYERYTENEKLVVLCNFTEEEQVISDETILNEIQKGSVLVNNVPNIIEGTLRPYEAIVYQIK
Complex: TEU_B_6(4H8U) / Model_53(4H8U/B) = [3.1] Download671.9512.22MKEKDWWKKSVVYQIYPKSFNDSNGDGVGDIQGIIEKLDYLKELGVDVIWLSPVYDSPQDDNGYDIRDYQKIYEEYGDMATFDQLLQGLHDRDMKLVMDLVVNHTSDEHKWFEESRKSKDNPYRDYYFWREENEINNWGSIFSGPAWELDEKTGEYYLHLFSKKQPDLNWENPKLRQDVYNMMKFWLDKGIDGFRMDVINFISKNTDFPDGPVPDGQIYGDAGNDFCNGPRIHEFLQEMNQEVTSKYDVMTVGEMPGASTTDAQIYTNPANNEVDMIFTFEHMNLDSDSDNKWDLKPIYLPDLKENMSEWQVALQENGWNSLYWNNHDQPRIVSRFGNDNRFRVRSAKMLATCLHMMKGTPYIYQGEEIGMTNVHFETLDDYRDIETLNMYKERKEQGHSHESIMQSIYTKGRDNARTPYQWDNSENAGFTTGTPWLKVNPRYTEINNEEALKNPDSIFYYYQNLIKLRKTTEIITTGNYRLLLPKDEAIFAYERYTENEKLVVLCNFTEEEQVISDETILNEIQKGSVLVNNVPNIIEGTLRPYEAIVYQIK
Complex: GOL_B_11(3WY2) / Model_62(3WY2/B) = [3.2] Download165.766.00MKEKDWWKKSVVYQIYPKSFNDSNGDGVGDIQGIIEKLDYLKELGVDVIWLSPVYDSPQDDNGYDIRDYQKIYEEYGDMATFDQLLQGLHDRDMKLVMDLVVNHTSDEHKWFEESRKSKDNPYRDYYFWREENEINNWGSIFSGPAWELDEKTGEYYLHLFSKKQPDLNWENPKLRQDVYNMMKFWLDKGIDGFRMDVINFISKNTDFPDGPVPDGQIYGDAGNDFCNGPRIHEFLQEMNQEVTSKYDVMTVGEMPGASTTDAQIYTNPANNEVDMIFTFEHMNLDSDSDNKWDLKPIYLPDLKENMSEWQVALQENGWNSLYWNNHDQPRIVSRFGNDNRFRVRSAKMLATCLHMMKGTPYIYQGEEIGMTNVHFETLDDYRDIETLNMYKERKEQGHSHESIMQSIYTKGRDNARTPYQWDNSENAGFTTGTPWLKVNPRYTEINNEEALKNPDSIFYYYQNLIKLRKTTEIITTGNYRLLLPKDEAIFAYERYTENEKLVVLCNFTEEEQVISDETILNEIQKGSVLVNNVPNIIEGTLRPYEAIVYQIK
Complex: SUC_A_4(4H8U) / Model_54(4H8U/A) = [3.2] Download527.6210.56MKEKDWWKKSVVYQIYPKSFNDSNGDGVGDIQGIIEKLDYLKELGVDVIWLSPVYDSPQDDNGYDIRDYQKIYEEYGDMATFDQLLQGLHDRDMKLVMDLVVNHTSDEHKWFEESRKSKDNPYRDYYFWREENEINNWGSIFSGPAWELDEKTGEYYLHLFSKKQPDLNWENPKLRQDVYNMMKFWLDKGIDGFRMDVINFISKNTDFPDGPVPDGQIYGDAGNDFCNGPRIHEFLQEMNQEVTSKYDVMTVGEMPGASTTDAQIYTNPANNEVDMIFTFEHMNLDSDSDNKWDLKPIYLPDLKENMSEWQVALQENGWNSLYWNNHDQPRIVSRFGNDNRFRVRSAKMLATCLHMMKGTPYIYQGEEIGMTNVHFETLDDYRDIETLNMYKERKEQGHSHESIMQSIYTKGRDNARTPYQWDNSENAGFTTGTPWLKVNPRYTEINNEEALKNPDSIFYYYQNLIKLRKTTEIITTGNYRLLLPKDEAIFAYERYTENEKLVVLCNFTEEEQVISDETILNEIQKGSVLVNNVPNIIEGTLRPYEAIVYQIK
Consensus
[pKd Mean = 3.14]
-381
(s=195)
7
(s=3)
MKEKDWWKKSVVYQIYPKSFNDSNGDGVGDIQGIIEKLDYLKELGVDVIWLSPVYDSPQDDNGYDIRDYQKIYEEYGDMATFDQLLQGLHDRDMKLVMDLVVNHTSDEHKWFEESRKSKDNPYRDYYFWREENEINNWGSIFSGPAWELDEKTGEYYLHLFSKKQPDLNWENPKLRQDVYNMMKFWLDKGIDGFRMDVINFISKNTDFPDGPVPDGQIYGDAGNDFCNGPRIHEFLQEMNQEVTSKYDVMTVGEMPGASTTDAQIYTNPANNEVDMIFTFEHMNLDSDSDNKWDLKPIYLPDLKENMSEWQVALQENGWNSLYWNNHDQPRIVSRFGNDNRFRVRSAKMLATCLHMMKGTPYIYQGEEIGMTNVHFETLDDYRDIETLNMYKERKEQGHSHESIMQSIYTKGRDNARTPYQWDNSENAGFTTGTPWLKVNPRYTEINNEEALKNPDSIFYYYQNLIKLRKTTEIITTGNYRLLLPKDEAIFAYERYTENEKLVVLCNFTEEEQVISDETILNEIQKGSVLVNNVPNIIEGTLRPYEAIVYQIK