Study : PA3768 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: OXY_A_22(2YAE) / Model_6(2YAE/A) = [3.1] Download40.56-1.67MTFTRRQVLGGLAGLAVVGLGAGGARLWLARPQVAQEYDYELIAAPLDLEIVPGFSSPALAYGGQCPGVELRAKQGEWLRVRFTNRLDEPTTIHWHGIRLPIEMDGVPYISQPPVQPGESFIYQFKTQDAGSYWYHPHLMSSEQLGRGLVGPLIIEEREPTGFRHEKVLCLKTWHVDEQGAFTPFSVPRQAAREGTRGRYSTINGKHVPTIDLPAGQIVRVRLLNVDNTVTYRLNLPNGEARIYAIDGHPVEPRGFEGQYWIGPGMRLELALKVPEAGTELSLRDGPVRLATIRSVASAEAPAGDWPKPLPANPVSEPDLANAEKIGFRFEWVGAMSDTSGKNPYPSFWQINGKAWEGGEEHKHNAPPLAKLKEGQSYIFELRNMAQYQHPIHLHGMAFKVLDSDRRDIIPYFTDTYLLGKNETARVALVADNPGLWMFHCHVIDHMETGLMGTIAVGEAWCG
Complex: OXY_A_6(3ZX1) / Model_1(3ZX1/A) = [3.3] Download179.55-2.36MTFTRRQVLGGLAGLAVVGLGAGGARLWLARPQVAQEYDYELIAAPLDLEIVPGFSSPALAYGGQCPGVELRAKQGEWLRVRFTNRLDEPTTIHWHGIRLPIEMDGVPYISQPPVQPGESFIYQFKTQDAGSYWYHPHLMSSEQLGRGLVGPLIIEEREPTGFRHEKVLCLKTWHVDEQGAFTPFSVPRQAAREGTRGRYSTINGKHVPTIDLPAGQIVRVRLLNVDNTVTYRLNLPNGEARIYAIDGHPVEPRGFEGQYWIGPGMRLELALKVPEAGTELSLRDGPVRLATIRSVASAEAPAGDWPKPLPANPVSEPDLANAEKIGFRFEWVGAMSDTSGKNPYPSFWQINGKAWEGGEEHKHNAPPLAKLKEGQSYIFELRNMAQYQHPIHLHGMAFKVLDSDRRDIIPYFTDTYLLGKNETARVALVADNPGLWMFHCHVIDHMETGLMGTIAVGEAWCG
Consensus
[pKd Mean = 3.20]
-110
(s=69)
-2
(s=0)
MTFTRRQVLGGLAGLAVVGLGAGGARLWLARPQVAQEYDYELIAAPLDLEIVPGFSSPALAYGGQCPGVELRAKQGEWLRVRFTNRLDEPTTIHWHGIRLPIEMDGVPYISQPPVQPGESFIYQFKTQDAGSYWYHPHLMSSEQLGRGLVGPLIIEEREPTGFRHEKVLCLKTWHVDEQGAFTPFSVPRQAAREGTRGRYSTINGKHVPTIDLPAGQIVRVRLLNVDNTVTYRLNLPNGEARIYAIDGHPVEPRGFEGQYWIGPGMRLELALKVPEAGTELSLRDGPVRLATIRSVASAEAPAGDWPKPLPANPVSEPDLANAEKIGFRFEWVGAMSDTSGKNPYPSFWQINGKAWEGGEEHKHNAPPLAKLKEGQSYIFELRNMAQYQHPIHLHGMAFKVLDSDRRDIIPYFTDTYLLGKNETARVALVADNPGLWMFHCHVIDHMETGLMGTIAVGEAWCG