Study : D5Q4H0_CLODI (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: GNP_A_5(5IQC) / Model_61(5IQC/A) = [3.5] Download1509.629.90MDIISRKYINEGFNSKAYIINDDYILLDGVNQNSYKNYQKYVNVINQISNVKSLEIPRIIELIEPCEEYPNGALIYKMIKGHTFRKEHIEIVNLDNIAKKLAEFMDELYEIRVDFDKDEYIKNELEITEQSVIELKEYLSESNYEKILSWFNEYKNYLLTFNDYHFIHGDLWYENYILNDNNELVGIVDFEGSGMGDPAYDIAALYYLGTGFINKVLSYYKYTDEDLIKRVSMLIKAREIADFDDMVKNYPEEVEEQVDKIKKVL
Complex: ADP_A_2(4DCA) / Model_70(4DCA/A) = [3.7] Download1455.9614.15MDIISRKYINEGFNSKAYIINDDYILLDGVNQNSYKNYQKYVNVINQISNVKSLEIPRIIELIEPCEEYPNGALIYKMIKGHTFRKEHIEIVNLDNIAKKLAEFMDELYEIRVDFDKDEYIKNELEITEQSVIELKEYLSESNYEKILSWFNEYKNYLLTFNDYHFIHGDLWYENYILNDNNELVGIVDFEGSGMGDPAYDIAALYYLGTGFINKVLSYYKYTDEDLIKRVSMLIKAREIADFDDMVKNYPEEVEEQVDKIKKVL
Complex: GNP_C_13(5IQI) / Model_62(5IQI/C) = [4.1] Download1548.9115.68MDIISRKYINEGFNSKAYIINDDYILLDGVNQNSYKNYQKYVNVINQISNVKSLEIPRIIELIEPCEEYPNGALIYKMIKGHTFRKEHIEIVNLDNIAKKLAEFMDELYEIRVDFDKDEYIKNELEITEQSVIELKEYLSESNYEKILSWFNEYKNYLLTFNDYHFIHGDLWYENYILNDNNELVGIVDFEGSGMGDPAYDIAALYYLGTGFINKVLSYYKYTDEDLIKRVSMLIKAREIADFDDMVKNYPEEVEEQVDKIKKVL
Complex: GDP_A_2(3TDW) / Model_59(3TDW/A) = [4.6] Download848.467.50MDIISRKYINEGFNSKAYIINDDYILLDGVNQNSYKNYQKYVNVINQISNVKSLEIPRIIELIEPCEEYPNGALIYKMIKGHTFRKEHIEIVNLDNIAKKLAEFMDELYEIRVDFDKDEYIKNELEITEQSVIELKEYLSESNYEKILSWFNEYKNYLLTFNDYHFIHGDLWYENYILNDNNELVGIVDFEGSGMGDPAYDIAALYYLGTGFINKVLSYYKYTDEDLIKRVSMLIKAREIADFDDMVKNYPEEVEEQVDKIKKVL
Complex: AMP_A_3(4R78) / Model_67(4R78/A) = [4.8] Download1113.3320.26MDIISRKYINEGFNSKAYIINDDYILLDGVNQNSYKNYQKYVNVINQISNVKSLEIPRIIELIEPCEEYPNGALIYKMIKGHTFRKEHIEIVNLDNIAKKLAEFMDELYEIRVDFDKDEYIKNELEITEQSVIELKEYLSESNYEKILSWFNEYKNYLLTFNDYHFIHGDLWYENYILNDNNELVGIVDFEGSGMGDPAYDIAALYYLGTGFINKVLSYYKYTDEDLIKRVSMLIKAREIADFDDMVKNYPEEVEEQVDKIKKVL
Consensus
[pKd Mean = 4.14]
-1295
(s=271)
13
(s=4)
MDIISRKYINEGFNSKAYIINDDYILLDGVNQNSYKNYQKYVNVINQISNVKSLEIPRIIELIEPCEEYPNGALIYKMIKGHTFRKEHIEIVNLDNIAKKLAEFMDELYEIRVDFDKDEYIKNELEITEQSVIELKEYLSESNYEKILSWFNEYKNYLLTFNDYHFIHGDLWYENYILNDNNELVGIVDFEGSGMGDPAYDIAALYYLGTGFINKVLSYYKYTDEDLIKRVSMLIKAREIADFDDMVKNYPEEVEEQVDKIKKVL