Study : bsu32910 (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: NAD_M_13(1RWB) / Model_39(1RWB/E) = [4.6] Download1309.293.21MNVLNKIALVTGGGTGIGKAASMELAKRGAIVAVNYSRSQSEAEETVEMIQKAGGQAFAIQADVSKNSDVQDMIQAIVNTHGTVDILVNNASITRHIPMDDLEAATEDV
Complex: NAD_K_11(1RWB) / Model_40(1RWB/B) = [5.0] Download1580.580.75MNVLNKIALVTGGGTGIGKAASMELAKRGAIVAVNYSRSQSEAEETVEMIQKAGGQAFAIQADVSKNSDVQDMIQAIVNTHGTVDILVNNASITRHIPMDDLEAATEDV
Complex: NAI_B_9(3AY6) / Model_32(3AY6/B) = [5.2] Download1580.471.05MNVLNKIALVTGGGTGIGKAASMELAKRGAIVAVNYSRSQSEAEETVEMIQKAGGQAFAIQADVSKNSDVQDMIQAIVNTHGTVDILVNNASITRHIPMDDLEAATEDV
Complex: NAD_O_15(1RWB) / Model_38(1RWB/F) = [5.2] Download1053.543.21MNVLNKIALVTGGGTGIGKAASMELAKRGAIVAVNYSRSQSEAEETVEMIQKAGGQAFAIQADVSKNSDVQDMIQAIVNTHGTVDILVNNASITRHIPMDDLEAATEDV
Complex: NAI_C_11(3AY6) / Model_31(3AY6/C) = [5.3] Download1397.082.19MNVLNKIALVTGGGTGIGKAASMELAKRGAIVAVNYSRSQSEAEETVEMIQKAGGQAFAIQADVSKNSDVQDMIQAIVNTHGTVDILVNNASITRHIPMDDLEAATEDV
Consensus
[pKd Mean = 5.06]
-1384
(s=196)
2
(s=1)
MNVLNKIALVTGGGTGIGKAASMELAKRGAIVAVNYSRSQSEAEETVEMIQKAGGQAFAIQADVSKNSDVQDMIQAIVNTHGTVDILVNNASITRHIPMDDLEAATEDV