Study : Rv2868c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: H6P_B_8(4S23) / Model_26(4S23/B) = [4.8] Download500.38-9.83MTVGLGMPQPPAPTLAPRRATRQLMVGNVGVGSDHPVSVQSMCTTKTHDVNSTLQQIAELTAAGCDIVRVACPRQEDADALAEIARHSQIPVVADIHFQPRYIFAAIDAGCAAVRVNPGNIKEFDGRVGEVAKAAGAAGIPIRIGVNAGSLDKRFMEKYGKATPEALVESALWEASLFEEHGFGDIKISVKHNDPVVMVAAYELLAARCDYPLHLGVTEAGPAFQGTIKSAVAFGALLSRGIGDTIRVSLSAPPVEEVKVGNQVLESLNLRPRSLEIVSCPSCGRAQVDVYTLANEVTAGLDGLDVPLRVAVMGCVVNGPGEAREADLGVASGNGKGQIFVRGEVIKTVPEAQIVETLIEEAMRLAAEMGEQDPGATPSGSPIVTVS
Complex: DPO_A_3(4S3D) / Model_6(4S3D/A) = [5.0] Download407.27-3.17MTVGLGMPQPPAPTLAPRRATRQLMVGNVGVGSDHPVSVQSMCTTKTHDVNSTLQQIAELTAAGCDIVRVACPRQEDADALAEIARHSQIPVVADIHFQPRYIFAAIDAGCAAVRVNPGNIKEFDGRVGEVAKAAGAAGIPIRIGVNAGSLDKRFMEKYGKATPEALVESALWEASLFEEHGFGDIKISVKHNDPVVMVAAYELLAARCDYPLHLGVTEAGPAFQGTIKSAVAFGALLSRGIGDTIRVSLSAPPVEEVKVGNQVLESLNLRPRSLEIVSCPSCGRAQVDVYTLANEVTAGLDGLDVPLRVAVMGCVVNGPGEAREADLGVASGNGKGQIFVRGEVIKTVPEAQIVETLIEEAMRLAAEMGEQDPGATPSGSPIVTVS
Complex: H6P_A_3(4S39) / Model_4(4S39/A) = [5.3] Download386.91-4.21MTVGLGMPQPPAPTLAPRRATRQLMVGNVGVGSDHPVSVQSMCTTKTHDVNSTLQQIAELTAAGCDIVRVACPRQEDADALAEIARHSQIPVVADIHFQPRYIFAAIDAGCAAVRVNPGNIKEFDGRVGEVAKAAGAAGIPIRIGVNAGSLDKRFMEKYGKATPEALVESALWEASLFEEHGFGDIKISVKHNDPVVMVAAYELLAARCDYPLHLGVTEAGPAFQGTIKSAVAFGALLSRGIGDTIRVSLSAPPVEEVKVGNQVLESLNLRPRSLEIVSCPSCGRAQVDVYTLANEVTAGLDGLDVPLRVAVMGCVVNGPGEAREADLGVASGNGKGQIFVRGEVIKTVPEAQIVETLIEEAMRLAAEMGEQDPGATPSGSPIVTVS
Complex: H6P_A_3(4S39) / Model_31(4S39/A) = [5.5] Download484.63-4.21MTVGLGMPQPPAPTLAPRRATRQLMVGNVGVGSDHPVSVQSMCTTKTHDVNSTLQQIAELTAAGCDIVRVACPRQEDADALAEIARHSQIPVVADIHFQPRYIFAAIDAGCAAVRVNPGNIKEFDGRVGEVAKAAGAAGIPIRIGVNAGSLDKRFMEKYGKATPEALVESALWEASLFEEHGFGDIKISVKHNDPVVMVAAYELLAARCDYPLHLGVTEAGPAFQGTIKSAVAFGALLSRGIGDTIRVSLSAPPVEEVKVGNQVLESLNLRPRSLEIVSCPSCGRAQVDVYTLANEVTAGLDGLDVPLRVAVMGCVVNGPGEAREADLGVASGNGKGQIFVRGEVIKTVPEAQIVETLIEEAMRLAAEMGEQDPGATPSGSPIVTVS
Complex: 43W_A_3(4S3F) / Model_8(4S3F/A) = [5.6] Download606.89-3.17MTVGLGMPQPPAPTLAPRRATRQLMVGNVGVGSDHPVSVQSMCTTKTHDVNSTLQQIAELTAAGCDIVRVACPRQEDADALAEIARHSQIPVVADIHFQPRYIFAAIDAGCAAVRVNPGNIKEFDGRVGEVAKAAGAAGIPIRIGVNAGSLDKRFMEKYGKATPEALVESALWEASLFEEHGFGDIKISVKHNDPVVMVAAYELLAARCDYPLHLGVTEAGPAFQGTIKSAVAFGALLSRGIGDTIRVSLSAPPVEEVKVGNQVLESLNLRPRSLEIVSCPSCGRAQVDVYTLANEVTAGLDGLDVPLRVAVMGCVVNGPGEAREADLGVASGNGKGQIFVRGEVIKTVPEAQIVETLIEEAMRLAAEMGEQDPGATPSGSPIVTVS
Consensus
[pKd Mean = 5.24]
-477
(s=78)
-4
(s=2)
MTVGLGMPQPPAPTLAPRRATRQLMVGNVGVGSDHPVSVQSMCTTKTHDVNSTLQQIAELTAAGCDIVRVACPRQEDADALAEIARHSQIPVVADIHFQPRYIFAAIDAGCAAVRVNPGNIKEFDGRVGEVAKAAGAAGIPIRIGVNAGSLDKRFMEKYGKATPEALVESALWEASLFEEHGFGDIKISVKHNDPVVMVAAYELLAARCDYPLHLGVTEAGPAFQGTIKSAVAFGALLSRGIGDTIRVSLSAPPVEEVKVGNQVLESLNLRPRSLEIVSCPSCGRAQVDVYTLANEVTAGLDGLDVPLRVAVMGCVVNGPGEAREADLGVASGNGKGQIFVRGEVIKTVPEAQIVETLIEEAMRLAAEMGEQDPGATPSGSPIVTVS