Study : Rv3224 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: GOL_B_14(3SC4) / Model_21(3SC4/B) = [3.2] Download544.959.47MSLNGKTMFISGASRGIGLAIAKRAARDGANIALIAKTAEPHPKLPGTVFTAAKELEEAGGQALPIVGDIRDPDAVASAVATTVEQFGGIDICVNNASAINLGSITEVPMKRFDLMNGIQVRGTYAVSQACIPHMKGRENPHILTLSPPILLEKKWLRPTAYMMAKYGMTLCALGIAEEMRADGIASNTLWPRTMVATAAVQNLLGGDEAMARSRKPEVYADAAYVIVNKPATEYTGKTLLCEDVLVESGVTDLSVYDCVPGATLGVDLWVEDANPPGYLPA
Complex: NAP_B_6(3KVO) / Model_22(3KVO/B) = [3.3] Download832.156.55MSLNGKTMFISGASRGIGLAIAKRAARDGANIALIAKTAEPHPKLPGTVFTAAKELEEAGGQALPIVGDIRDPDAVASAVATTVEQFGGIDICVNNASAINLGSITEVPMKRFDLMNGIQVRGTYAVSQACIPHMKGRENPHILTLSPPILLEKKWLRPTAYMMAKYGMTLCALGIAEEMRADGIASNTLWPRTMVATAAVQNLLGGDEAMARSRKPEVYADAAYVIVNKPATEYTGKTLLCEDVLVESGVTDLSVYDCVPGATLGVDLWVEDANPPGYLPA
Complex: NAP_A_4(3KVO) / Model_2(3KVO/A) = [3.9] Download1046.3412.79MSLNGKTMFISGASRGIGLAIAKRAARDGANIALIAKTAEPHPKLPGTVFTAAKELEEAGGQALPIVGDIRDPDAVASAVATTVEQFGGIDICVNNASAINLGSITEVPMKRFDLMNGIQVRGTYAVSQACIPHMKGRENPHILTLSPPILLEKKWLRPTAYMMAKYGMTLCALGIAEEMRADGIASNTLWPRTMVATAAVQNLLGGDEAMARSRKPEVYADAAYVIVNKPATEYTGKTLLCEDVLVESGVTDLSVYDCVPGATLGVDLWVEDANPPGYLPA
Consensus
[pKd Mean = 3.47]
-807
(s=205)
9
(s=2)
MSLNGKTMFISGASRGIGLAIAKRAARDGANIALIAKTAEPHPKLPGTVFTAAKELEEAGGQALPIVGDIRDPDAVASAVATTVEQFGGIDICVNNASAINLGSITEVPMKRFDLMNGIQVRGTYAVSQACIPHMKGRENPHILTLSPPILLEKKWLRPTAYMMAKYGMTLCALGIAEEMRADGIASNTLWPRTMVATAAVQNLLGGDEAMARSRKPEVYADAAYVIVNKPATEYTGKTLLCEDVLVESGVTDLSVYDCVPGATLGVDLWVEDANPPGYLPA