Study : jhp_0773 (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: GDP_A_3(4KYU) / Model_6(4KYU/A) = [6.5] Download647.004.06MNTSHKTLKTIAILGQPNVGKSSLFNRLARERIAITSDFAGTTRDINKRKIALNGHEVELLDTGGMAKDALLSKEIKALNLKAAQMSDLILYVVDGKSIPSDEDLKLFREVFKTNPNCFLVINKIDNDKEKERSYAFSSFGTPKSFNISVSHNRGISALIDAVLNALNLNQIIEQDLDADILESLETPNNALEETKEEEIIQVGIIGRVNVGKSSLLNALTKKERSLVSSVAGTTIDPIDETILIGDQKICFVDTAGIRHRGKILGIEKYALDRTQKALEKSHIALLVLDVSAPFVELDEKISSLADKHSLGIILILNKWDIRYAPYEEIMATLKRKFRFLEYAPVITTSCLKARHIDEIKHKIIEVYECFSKRIPTSSLNSVIFQATQKHPLPSDGGKLVKVYYATQFATKPPQISLIMNRPKALHFSYKRYLINTLRKEFNFLGTPLILNAKDKKSVQQN
Complex: GDP_A_3(4DCU) / Model_2(4DCU/A) = [6.9] Download841.3712.87MNTSHKTLKTIAILGQPNVGKSSLFNRLARERIAITSDFAGTTRDINKRKIALNGHEVELLDTGGMAKDALLSKEIKALNLKAAQMSDLILYVVDGKSIPSDEDLKLFREVFKTNPNCFLVINKIDNDKEKERSYAFSSFGTPKSFNISVSHNRGISALIDAVLNALNLNQIIEQDLDADILESLETPNNALEETKEEEIIQVGIIGRVNVGKSSLLNALTKKERSLVSSVAGTTIDPIDETILIGDQKICFVDTAGIRHRGKILGIEKYALDRTQKALEKSHIALLVLDVSAPFVELDEKISSLADKHSLGIILILNKWDIRYAPYEEIMATLKRKFRFLEYAPVITTSCLKARHIDEIKHKIIEVYECFSKRIPTSSLNSVIFQATQKHPLPSDGGKLVKVYYATQFATKPPQISLIMNRPKALHFSYKRYLINTLRKEFNFLGTPLILNAKDKKSVQQN
Complex: GDP_A_4(2HJG) / Model_4(2HJG/A) = [7.0] Download731.8311.00MNTSHKTLKTIAILGQPNVGKSSLFNRLARERIAITSDFAGTTRDINKRKIALNGHEVELLDTGGMAKDALLSKEIKALNLKAAQMSDLILYVVDGKSIPSDEDLKLFREVFKTNPNCFLVINKIDNDKEKERSYAFSSFGTPKSFNISVSHNRGISALIDAVLNALNLNQIIEQDLDADILESLETPNNALEETKEEEIIQVGIIGRVNVGKSSLLNALTKKERSLVSSVAGTTIDPIDETILIGDQKICFVDTAGIRHRGKILGIEKYALDRTQKALEKSHIALLVLDVSAPFVELDEKISSLADKHSLGIILILNKWDIRYAPYEEIMATLKRKFRFLEYAPVITTSCLKARHIDEIKHKIIEVYECFSKRIPTSSLNSVIFQATQKHPLPSDGGKLVKVYYATQFATKPPQISLIMNRPKALHFSYKRYLINTLRKEFNFLGTPLILNAKDKKSVQQN
Complex: GDP_B_8(4KYU) / Model_21(4KYU/B) = [7.4] Download994.388.24MNTSHKTLKTIAILGQPNVGKSSLFNRLARERIAITSDFAGTTRDINKRKIALNGHEVELLDTGGMAKDALLSKEIKALNLKAAQMSDLILYVVDGKSIPSDEDLKLFREVFKTNPNCFLVINKIDNDKEKERSYAFSSFGTPKSFNISVSHNRGISALIDAVLNALNLNQIIEQDLDADILESLETPNNALEETKEEEIIQVGIIGRVNVGKSSLLNALTKKERSLVSSVAGTTIDPIDETILIGDQKICFVDTAGIRHRGKILGIEKYALDRTQKALEKSHIALLVLDVSAPFVELDEKISSLADKHSLGIILILNKWDIRYAPYEEIMATLKRKFRFLEYAPVITTSCLKARHIDEIKHKIIEVYECFSKRIPTSSLNSVIFQATQKHPLPSDGGKLVKVYYATQFATKPPQISLIMNRPKALHFSYKRYLINTLRKEFNFLGTPLILNAKDKKSVQQN
Complex: GDP_C_3(2DYK) / Model_75(2DYK/A) = [7.6] Download622.865.29MNTSHKTLKTIAILGQPNVGKSSLFNRLARERIAITSDFAGTTRDINKRKIALNGHEVELLDTGGMAKDALLSKEIKALNLKAAQMSDLILYVVDGKSIPSDEDLKLFREVFKTNPNCFLVINKIDNDKEKERSYAFSSFGTPKSFNISVSHNRGISALIDAVLNALNLNQIIEQDLDADILESLETPNNALEETKEEEIIQVGIIGRVNVGKSSLLNALTKKERSLVSSVAGTTIDPIDETILIGDQKICFVDTAGIRHRGKILGIEKYALDRTQKALEKSHIALLVLDVSAPFVELDEKISSLADKHSLGIILILNKWDIRYAPYEEIMATLKRKFRFLEYAPVITTSCLKARHIDEIKHKIIEVYECFSKRIPTSSLNSVIFQATQKHPLPSDGGKLVKVYYATQFATKPPQISLIMNRPKALHFSYKRYLINTLRKEFNFLGTPLILNAKDKKSVQQN
Consensus
[pKd Mean = 7.08]
-767
(s=136)
8
(s=3)
MNTSHKTLKTIAILGQPNVGKSSLFNRLARERIAITSDFAGTTRDINKRKIALNGHEVELLDTGGMAKDALLSKEIKALNLKAAQMSDLILYVVDGKSIPSDEDLKLFREVFKTNPNCFLVINKIDNDKEKERSYAFSSFGTPKSFNISVSHNRGISALIDAVLNALNLNQIIEQDLDADILESLETPNNALEETKEEEIIQVGIIGRVNVGKSSLLNALTKKERSLVSSVAGTTIDPIDETILIGDQKICFVDTAGIRHRGKILGIEKYALDRTQKALEKSHIALLVLDVSAPFVELDEKISSLADKHSLGIILILNKWDIRYAPYEEIMATLKRKFRFLEYAPVITTSCLKARHIDEIKHKIIEVYECFSKRIPTSSLNSVIFQATQKHPLPSDGGKLVKVYYATQFATKPPQISLIMNRPKALHFSYKRYLINTLRKEFNFLGTPLILNAKDKKSVQQN