Study : bsu15720 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: FMT_D_16(4DR8) / Model_71(4DR8/D) = [3.1] Download169.9713.50MAVKKVVTHPAEVLETPAETVTVFDKKLKKLLDDMYDTMLEMDGVGLAAPQIGILKRAAVVEIGDDRGRIDLVNPEILEKSGEQTGIEGCLSFPNVYGDVTRADYVKVRAFNRQGKPFILEARGFLARAVQHEMDHLDGVLFTSKISKYYTEDELADMEG
Complex: QAP_A_3(4E9A) / Model_122(4E9A/A) = [3.2] Download747.8823.46MAVKKVVTHPAEVLETPAETVTVFDKKLKKLLDDMYDTMLEMDGVGLAAPQIGILKRAAVVEIGDDRGRIDLVNPEILEKSGEQTGIEGCLSFPNVYGDVTRADYVKVRAFNRQGKPFILEARGFLARAVQHEMDHLDGVLFTSKISKYYTEDELADMEG
Complex: QAP_A_3(4E9A) / Model_63(4E9A/A) = [3.2] Download648.3523.46MAVKKVVTHPAEVLETPAETVTVFDKKLKKLLDDMYDTMLEMDGVGLAAPQIGILKRAAVVEIGDDRGRIDLVNPEILEKSGEQTGIEGCLSFPNVYGDVTRADYVKVRAFNRQGKPFILEARGFLARAVQHEMDHLDGVLFTSKISKYYTEDELADMEG
Complex: FMT_B_11(4DR8) / Model_73(4DR8/B) = [3.3] Download141.4113.50MAVKKVVTHPAEVLETPAETVTVFDKKLKKLLDDMYDTMLEMDGVGLAAPQIGILKRAAVVEIGDDRGRIDLVNPEILEKSGEQTGIEGCLSFPNVYGDVTRADYVKVRAFNRQGKPFILEARGFLARAVQHEMDHLDGVLFTSKISKYYTEDELADMEG
Complex: FMT_C_14(4DR8) / Model_72(4DR8/C) = [3.3] Download151.5613.50MAVKKVVTHPAEVLETPAETVTVFDKKLKKLLDDMYDTMLEMDGVGLAAPQIGILKRAAVVEIGDDRGRIDLVNPEILEKSGEQTGIEGCLSFPNVYGDVTRADYVKVRAFNRQGKPFILEARGFLARAVQHEMDHLDGVLFTSKISKYYTEDELADMEG
Consensus
[pKd Mean = 3.22]
-371
(s=268)
17
(s=4)
MAVKKVVTHPAEVLETPAETVTVFDKKLKKLLDDMYDTMLEMDGVGLAAPQIGILKRAAVVEIGDDRGRIDLVNPEILEKSGEQTGIEGCLSFPNVYGDVTRADYVKVRAFNRQGKPFILEARGFLARAVQHEMDHLDGVLFTSKISKYYTEDELADMEG