Study : PA0178 (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: ANP_A_5(2CH4) / Model_2(2CH4/A) = [3.5] Download1503.2811.97MPQDMSQFLQVFFEETEEHLATLELLLIGLDLDRPDSETLHGIFRAAHSIKGSSGMFGFDDITAVTHELETLLDRIRCGQMHLRPDMISSFLEARDVLQRLLDAHRSGRPDPGVPLLETVERLRGWLRVPEQEAAEEGFGLFDDAPARETADDDAFGFFDEGPGAPERAAAPEAFGLFDEAPGAPAASEAFGLFDEAPGSPPAEERAFGLFDGAPGSPAAPSAPAQAVAAPARGAVAPVRGDGESGSIRVSVEKIDSLINLVGELVITQAMLGQLGEQLDPSRHERLQHALAQLEHNTRDLQESVMSIRMLPINFIFSRFPRLVRDTATRLGKQVELHLHGEHTELDKSVIEKLSDPLTHIVRNSIDHGIETPAERLAAGKPASGTVKLAASHQGGSVVVEVSDDGRGLSRPRILAKARERNLPVHDGMSDAEVWQLVFMPGFSTAETVTELSGRGVGMDVVKRNIGAMGGRIDIDSAPGMGTRIGIRLPLTLAILDGLIVAVEAVNYVIPLTYIVESLQARSDDVRGLGGEDNAMIRVRGEYLPLFSLHELLRIGGEAPAPEQGIVVILESEGRSFALQVDELVGQQQVVIKSLEQNFRRVEGIAGATIMGDGSVALILDVDALPRLAAREDTADERH
Complex: ANP_A_5(2CH4) / Model_40(2CH4/A) = [3.5] Download1454.8511.97MPQDMSQFLQVFFEETEEHLATLELLLIGLDLDRPDSETLHGIFRAAHSIKGSSGMFGFDDITAVTHELETLLDRIRCGQMHLRPDMISSFLEARDVLQRLLDAHRSGRPDPGVPLLETVERLRGWLRVPEQEAAEEGFGLFDDAPARETADDDAFGFFDEGPGAPERAAAPEAFGLFDEAPGAPAASEAFGLFDEAPGSPPAEERAFGLFDGAPGSPAAPSAPAQAVAAPARGAVAPVRGDGESGSIRVSVEKIDSLINLVGELVITQAMLGQLGEQLDPSRHERLQHALAQLEHNTRDLQESVMSIRMLPINFIFSRFPRLVRDTATRLGKQVELHLHGEHTELDKSVIEKLSDPLTHIVRNSIDHGIETPAERLAAGKPASGTVKLAASHQGGSVVVEVSDDGRGLSRPRILAKARERNLPVHDGMSDAEVWQLVFMPGFSTAETVTELSGRGVGMDVVKRNIGAMGGRIDIDSAPGMGTRIGIRLPLTLAILDGLIVAVEAVNYVIPLTYIVESLQARSDDVRGLGGEDNAMIRVRGEYLPLFSLHELLRIGGEAPAPEQGIVVILESEGRSFALQVDELVGQQQVVIKSLEQNFRRVEGIAGATIMGDGSVALILDVDALPRLAAREDTADERH
Complex: 128_D_4(1I5D) / Model_5(1I5D/A) = [3.9] Download1603.938.88MPQDMSQFLQVFFEETEEHLATLELLLIGLDLDRPDSETLHGIFRAAHSIKGSSGMFGFDDITAVTHELETLLDRIRCGQMHLRPDMISSFLEARDVLQRLLDAHRSGRPDPGVPLLETVERLRGWLRVPEQEAAEEGFGLFDDAPARETADDDAFGFFDEGPGAPERAAAPEAFGLFDEAPGAPAASEAFGLFDEAPGSPPAEERAFGLFDGAPGSPAAPSAPAQAVAAPARGAVAPVRGDGESGSIRVSVEKIDSLINLVGELVITQAMLGQLGEQLDPSRHERLQHALAQLEHNTRDLQESVMSIRMLPINFIFSRFPRLVRDTATRLGKQVELHLHGEHTELDKSVIEKLSDPLTHIVRNSIDHGIETPAERLAAGKPASGTVKLAASHQGGSVVVEVSDDGRGLSRPRILAKARERNLPVHDGMSDAEVWQLVFMPGFSTAETVTELSGRGVGMDVVKRNIGAMGGRIDIDSAPGMGTRIGIRLPLTLAILDGLIVAVEAVNYVIPLTYIVESLQARSDDVRGLGGEDNAMIRVRGEYLPLFSLHELLRIGGEAPAPEQGIVVILESEGRSFALQVDELVGQQQVVIKSLEQNFRRVEGIAGATIMGDGSVALILDVDALPRLAAREDTADERH
Complex: ADP_B_7(1I58) / Model_25(1I58/B) = [4.2] Download1190.947.59MPQDMSQFLQVFFEETEEHLATLELLLIGLDLDRPDSETLHGIFRAAHSIKGSSGMFGFDDITAVTHELETLLDRIRCGQMHLRPDMISSFLEARDVLQRLLDAHRSGRPDPGVPLLETVERLRGWLRVPEQEAAEEGFGLFDDAPARETADDDAFGFFDEGPGAPERAAAPEAFGLFDEAPGAPAASEAFGLFDEAPGSPPAEERAFGLFDGAPGSPAAPSAPAQAVAAPARGAVAPVRGDGESGSIRVSVEKIDSLINLVGELVITQAMLGQLGEQLDPSRHERLQHALAQLEHNTRDLQESVMSIRMLPINFIFSRFPRLVRDTATRLGKQVELHLHGEHTELDKSVIEKLSDPLTHIVRNSIDHGIETPAERLAAGKPASGTVKLAASHQGGSVVVEVSDDGRGLSRPRILAKARERNLPVHDGMSDAEVWQLVFMPGFSTAETVTELSGRGVGMDVVKRNIGAMGGRIDIDSAPGMGTRIGIRLPLTLAILDGLIVAVEAVNYVIPLTYIVESLQARSDDVRGLGGEDNAMIRVRGEYLPLFSLHELLRIGGEAPAPEQGIVVILESEGRSFALQVDELVGQQQVVIKSLEQNFRRVEGIAGATIMGDGSVALILDVDALPRLAAREDTADERH
Complex: ACP_B_5(1I5A) / Model_23(1I5A/B) = [4.3] Download1231.739.78MPQDMSQFLQVFFEETEEHLATLELLLIGLDLDRPDSETLHGIFRAAHSIKGSSGMFGFDDITAVTHELETLLDRIRCGQMHLRPDMISSFLEARDVLQRLLDAHRSGRPDPGVPLLETVERLRGWLRVPEQEAAEEGFGLFDDAPARETADDDAFGFFDEGPGAPERAAAPEAFGLFDEAPGAPAASEAFGLFDEAPGSPPAEERAFGLFDGAPGSPAAPSAPAQAVAAPARGAVAPVRGDGESGSIRVSVEKIDSLINLVGELVITQAMLGQLGEQLDPSRHERLQHALAQLEHNTRDLQESVMSIRMLPINFIFSRFPRLVRDTATRLGKQVELHLHGEHTELDKSVIEKLSDPLTHIVRNSIDHGIETPAERLAAGKPASGTVKLAASHQGGSVVVEVSDDGRGLSRPRILAKARERNLPVHDGMSDAEVWQLVFMPGFSTAETVTELSGRGVGMDVVKRNIGAMGGRIDIDSAPGMGTRIGIRLPLTLAILDGLIVAVEAVNYVIPLTYIVESLQARSDDVRGLGGEDNAMIRVRGEYLPLFSLHELLRIGGEAPAPEQGIVVILESEGRSFALQVDELVGQQQVVIKSLEQNFRRVEGIAGATIMGDGSVALILDVDALPRLAAREDTADERH
Consensus
[pKd Mean = 3.88]		-1396
(s=159)		10
(s=1)		MPQDMSQFLQVFFEETEEHLATLELLLIGLDLDRPDSETLHGIFRAAHSIKGSSGMFGFDDITAVTHELETLLDRIRCGQMHLRPDMISSFLEARDVLQRLLDAHRSGRPDPGVPLLETVERLRGWLRVPEQEAAEEGFGLFDDAPARETADDDAFGFFDEGPGAPERAAAPEAFGLFDEAPGAPAASEAFGLFDEAPGSPPAEERAFGLFDGAPGSPAAPSAPAQAVAAPARGAVAPVRGDGESGSIRVSVEKIDSLINLVGELVITQAMLGQLGEQLDPSRHERLQHALAQLEHNTRDLQESVMSIRMLPINFIFSRFPRLVRDTATRLGKQVELHLHGEHTELDKSVIEKLSDPLTHIVRNSIDHGIETPAERLAAGKPASGTVKLAASHQGGSVVVEVSDDGRGLSRPRILAKARERNLPVHDGMSDAEVWQLVFMPGFSTAETVTELSGRGVGMDVVKRNIGAMGGRIDIDSAPGMGTRIGIRLPLTLAILDGLIVAVEAVNYVIPLTYIVESLQARSDDVRGLGGEDNAMIRVRGEYLPLFSLHELLRIGGEAPAPEQGIVVILESEGRSFALQVDELVGQQQVVIKSLEQNFRRVEGIAGATIMGDGSVALILDVDALPRLAAREDTADERH