Study : Lmo0681 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: GOL_B_14(3DMD) / Model_4(3DMD/B) = [3.2] Download126.156.00MGKHLVEKMEIFKGNSKREIHKKIQLVTNEPYKITDERVTKLGIFKKQYEVTAVIMSEVAIADGRMDFQETFQKSVVKTRPKTDDLLKKEKLLEMLAAGAELAQSTPLLEERKTQEEELSSMRLELAALNRELAVKMREEREQNSDFVKFLKGRGISDTYVADFMQAGRKQFKQVETAHLDDITDWFVPYLSGKLAVEDSFDLSGHRIISLIGQTGVGKTTTLVKLGWQLLKQNRTVGFITTDTFRSGAVEQFQGYADKLDVELIVATSPAELEEAVQYMTYVNCVDHILIDTVGRNYLAEESVSEISAYTDVVHPDLTCFTFSSGMKSADVMTILPKLAEIPIDGFIITKMDETTRIGDLYTVMQETNLPVLYMTDGQNITENIFRPKSRWLAERFVGTDRRQVVE
Complex: CHAIN_G_7(3SYN) / Model_21(3SYN/D) = [3.4] Download--MGKHLVEKMEIFKGNSKREIHKKIQLVTNEPYKITDERVTKLGIFKKQYEVTAVIMSEVAIADGRMDFQETFQKSVVKTRPKTDDLLKKEKLLEMLAAGAELAQSTPLLEERKTQEEELSSMRLELAALNRELAVKMREEREQNSDFVKFLKGRGISDTYVADFMQAGRKQFKQVETAHLDDITDWFVPYLSGKLAVEDSFDLSGHRIISLIGQTGVGKTTTLVKLGWQLLKQNRTVGFITTDTFRSGAVEQFQGYADKLDVELIVATSPAELEEAVQYMTYVNCVDHILIDTVGRNYLAEESVSEISAYTDVVHPDLTCFTFSSGMKSADVMTILPKLAEIPIDGFIITKMDETTRIGDLYTVMQETNLPVLYMTDGQNITENIFRPKSRWLAERFVGTDRRQVVE
Complex: CHAIN_E_5(3SYN) / Model_23(3SYN/B) = [3.4] Download--MGKHLVEKMEIFKGNSKREIHKKIQLVTNEPYKITDERVTKLGIFKKQYEVTAVIMSEVAIADGRMDFQETFQKSVVKTRPKTDDLLKKEKLLEMLAAGAELAQSTPLLEERKTQEEELSSMRLELAALNRELAVKMREEREQNSDFVKFLKGRGISDTYVADFMQAGRKQFKQVETAHLDDITDWFVPYLSGKLAVEDSFDLSGHRIISLIGQTGVGKTTTLVKLGWQLLKQNRTVGFITTDTFRSGAVEQFQGYADKLDVELIVATSPAELEEAVQYMTYVNCVDHILIDTVGRNYLAEESVSEISAYTDVVHPDLTCFTFSSGMKSADVMTILPKLAEIPIDGFIITKMDETTRIGDLYTVMQETNLPVLYMTDGQNITENIFRPKSRWLAERFVGTDRRQVVE
Complex: CHAIN_H_8(3SYN) / Model_22(3SYN/C) = [3.4] Download--MGKHLVEKMEIFKGNSKREIHKKIQLVTNEPYKITDERVTKLGIFKKQYEVTAVIMSEVAIADGRMDFQETFQKSVVKTRPKTDDLLKKEKLLEMLAAGAELAQSTPLLEERKTQEEELSSMRLELAALNRELAVKMREEREQNSDFVKFLKGRGISDTYVADFMQAGRKQFKQVETAHLDDITDWFVPYLSGKLAVEDSFDLSGHRIISLIGQTGVGKTTTLVKLGWQLLKQNRTVGFITTDTFRSGAVEQFQGYADKLDVELIVATSPAELEEAVQYMTYVNCVDHILIDTVGRNYLAEESVSEISAYTDVVHPDLTCFTFSSGMKSADVMTILPKLAEIPIDGFIITKMDETTRIGDLYTVMQETNLPVLYMTDGQNITENIFRPKSRWLAERFVGTDRRQVVE
Complex: GDP_C_2(3E70) / Model_5(3E70/C) = [5.8] Download936.6914.12MGKHLVEKMEIFKGNSKREIHKKIQLVTNEPYKITDERVTKLGIFKKQYEVTAVIMSEVAIADGRMDFQETFQKSVVKTRPKTDDLLKKEKLLEMLAAGAELAQSTPLLEERKTQEEELSSMRLELAALNRELAVKMREEREQNSDFVKFLKGRGISDTYVADFMQAGRKQFKQVETAHLDDITDWFVPYLSGKLAVEDSFDLSGHRIISLIGQTGVGKTTTLVKLGWQLLKQNRTVGFITTDTFRSGAVEQFQGYADKLDVELIVATSPAELEEAVQYMTYVNCVDHILIDTVGRNYLAEESVSEISAYTDVVHPDLTCFTFSSGMKSADVMTILPKLAEIPIDGFIITKMDETTRIGDLYTVMQETNLPVLYMTDGQNITENIFRPKSRWLAERFVGTDRRQVVE
Consensus
[pKd Mean = 3.84]
-531
(s=405)
10
(s=4)
MGKHLVEKMEIFKGNSKREIHKKIQLVTNEPYKITDERVTKLGIFKKQYEVTAVIMSEVAIADGRMDFQETFQKSVVKTRPKTDDLLKKEKLLEMLAAGAELAQSTPLLEERKTQEEELSSMRLELAALNRELAVKMREEREQNSDFVKFLKGRGISDTYVADFMQAGRKQFKQVETAHLDDITDWFVPYLSGKLAVEDSFDLSGHRIISLIGQTGVGKTTTLVKLGWQLLKQNRTVGFITTDTFRSGAVEQFQGYADKLDVELIVATSPAELEEAVQYMTYVNCVDHILIDTVGRNYLAEESVSEISAYTDVVHPDLTCFTFSSGMKSADVMTILPKLAEIPIDGFIITKMDETTRIGDLYTVMQETNLPVLYMTDGQNITENIFRPKSRWLAERFVGTDRRQVVE