Study : A4ZPY7_CHRVL (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ADN_A_5(2Q83) / Model_52(2Q83/A) = [3.2] Download1286.4936.86MSARIAERAMAALGRSGMGARATRVGGGRASEVFLVQGGDSELIAYWLPEGGAREARRRFALLERMAGQFRLAPRPLAVDEDGDAALLLVEKLEGVAPAACGPLAPDTVRRLAENFIGTLASLHALEVAPADRPPDYLRRILSEWRRRWNAEEAGGAIDADFSAVADWLTERMPETAPAAWLHNDYKLDNILVDPGDPARVVGVVDWELAAVGHPLADLGAALAYWIESRDSSLLRLDAPGPSCAPGAPTREALVDLYAAAAGREVTEPAYWYAYGLLRLAVITQQLALRRRDEGQRVPRAKLIVRWLLDRAAEACGGGRL
Complex: ATP_A_8(3ATT) / Model_40(3ATT/A) = [3.4] Download1855.6423.07MSARIAERAMAALGRSGMGARATRVGGGRASEVFLVQGGDSELIAYWLPEGGAREARRRFALLERMAGQFRLAPRPLAVDEDGDAALLLVEKLEGVAPAACGPLAPDTVRRLAENFIGTLASLHALEVAPADRPPDYLRRILSEWRRRWNAEEAGGAIDADFSAVADWLTERMPETAPAAWLHNDYKLDNILVDPGDPARVVGVVDWELAAVGHPLADLGAALAYWIESRDSSLLRLDAPGPSCAPGAPTREALVDLYAAAAGREVTEPAYWYAYGLLRLAVITQQLALRRRDEGQRVPRAKLIVRWLLDRAAEACGGGRL
Complex: ADP_A_6(2OLC) / Model_25(2OLC/A) = [5.2] Download1208.6125.05MSARIAERAMAALGRSGMGARATRVGGGRASEVFLVQGGDSELIAYWLPEGGAREARRRFALLERMAGQFRLAPRPLAVDEDGDAALLLVEKLEGVAPAACGPLAPDTVRRLAENFIGTLASLHALEVAPADRPPDYLRRILSEWRRRWNAEEAGGAIDADFSAVADWLTERMPETAPAAWLHNDYKLDNILVDPGDPARVVGVVDWELAAVGHPLADLGAALAYWIESRDSSLLRLDAPGPSCAPGAPTREALVDLYAAAAGREVTEPAYWYAYGLLRLAVITQQLALRRRDEGQRVPRAKLIVRWLLDRAAEACGGGRL
Consensus
[pKd Mean = 3.93]
-1450
(s=288)
28
(s=6)
MSARIAERAMAALGRSGMGARATRVGGGRASEVFLVQGGDSELIAYWLPEGGAREARRRFALLERMAGQFRLAPRPLAVDEDGDAALLLVEKLEGVAPAACGPLAPDTVRRLAENFIGTLASLHALEVAPADRPPDYLRRILSEWRRRWNAEEAGGAIDADFSAVADWLTERMPETAPAAWLHNDYKLDNILVDPGDPARVVGVVDWELAAVGHPLADLGAALAYWIESRDSSLLRLDAPGPSCAPGAPTREALVDLYAAAAGREVTEPAYWYAYGLLRLAVITQQLALRRRDEGQRVPRAKLIVRWLLDRAAEACGGGRL