Study : bsu35190 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ANP_A_2(5HV1) / Model_3(5HV1/A) = [6.0] Download1057.6227.09MYSVLFRQAEESSQLAGAKGMNLIKLTKHGLPVPDGFIIQTNALARFMEDNQLQETSENVEGGIISGTFSDELKDELTSSFYKLRESYRSVAVRSSSASEDLEGASFAGQYETYLNIKTEEEFLAKVKECWASFFSGRVSSYKKKMNNQIAEPLMGIVVQGLIDSEMSGVIFSRNPVTHDDRELLISASYGLGEAVVSGNVTPDTFIVNKSSFEIQKEIGAKEIYMESAAEGIAEKETSEDMRSRFCLTDEQVIELAEITKKTEDLYGYPVDIEFGIADHQIYLLQARPITTIDQDKKAAEEKRSFMITDTDMNDFWLNMESNIEGPVSPLFSSFIVPALEYGLKKSMQKFPIGVVVDEVKLYRGHIYSKNQGGQQPPSEDCGKELFPILSEHMYDIINHTYLPFYRTLDQLAQTEHTAESALEAFQKLKAFYLTAYEEHFNIVFPQILLTNKLQAMYQDIQGESENAHFYEMLTGKMNKSLETDRCLWLFSVEVQENPNLLAIFENNKPEQLQEKLEQTDEGRHFLKNVHEFLQEYGWRSVKSHDLIEQIWVENPYFALANIQNYVRNGYHFDNEFQKTKEKREKLYNEFLESIEDPGLRTEFDRYYQWTLNSANIKDDHHFYIDAMLDAKARIFLLKIGELLAENGVIQDREDLWFLYDDEVEQALLHPVSLQEKAEKRRQIFHEYELAQAPAYLGTPTKEQLKAAEEIVGAVIEDEKNTENHIFGIAASSGIATGPVKIIRDANEFSQFAPGDVLVCKMTTPLWTSLFQDAKAIITDTGGILSHAAIIAREYGIPAVLGTRTATERLRDGDIITVDGSSGKITVVSRS
Complex: ANP_A_2(5HV3) / Model_2(5HV3/A) = [6.8] Download1176.1528.62MYSVLFRQAEESSQLAGAKGMNLIKLTKHGLPVPDGFIIQTNALARFMEDNQLQETSENVEGGIISGTFSDELKDELTSSFYKLRESYRSVAVRSSSASEDLEGASFAGQYETYLNIKTEEEFLAKVKECWASFFSGRVSSYKKKMNNQIAEPLMGIVVQGLIDSEMSGVIFSRNPVTHDDRELLISASYGLGEAVVSGNVTPDTFIVNKSSFEIQKEIGAKEIYMESAAEGIAEKETSEDMRSRFCLTDEQVIELAEITKKTEDLYGYPVDIEFGIADHQIYLLQARPITTIDQDKKAAEEKRSFMITDTDMNDFWLNMESNIEGPVSPLFSSFIVPALEYGLKKSMQKFPIGVVVDEVKLYRGHIYSKNQGGQQPPSEDCGKELFPILSEHMYDIINHTYLPFYRTLDQLAQTEHTAESALEAFQKLKAFYLTAYEEHFNIVFPQILLTNKLQAMYQDIQGESENAHFYEMLTGKMNKSLETDRCLWLFSVEVQENPNLLAIFENNKPEQLQEKLEQTDEGRHFLKNVHEFLQEYGWRSVKSHDLIEQIWVENPYFALANIQNYVRNGYHFDNEFQKTKEKREKLYNEFLESIEDPGLRTEFDRYYQWTLNSANIKDDHHFYIDAMLDAKARIFLLKIGELLAENGVIQDREDLWFLYDDEVEQALLHPVSLQEKAEKRRQIFHEYELAQAPAYLGTPTKEQLKAAEEIVGAVIEDEKNTENHIFGIAASSGIATGPVKIIRDANEFSQFAPGDVLVCKMTTPLWTSLFQDAKAIITDTGGILSHAAIIAREYGIPAVLGTRTATERLRDGDIITVDGSSGKITVVSRS
Consensus
[pKd Mean = 6.40]
-1116
(s=59)
27
(s=1)
MYSVLFRQAEESSQLAGAKGMNLIKLTKHGLPVPDGFIIQTNALARFMEDNQLQETSENVEGGIISGTFSDELKDELTSSFYKLRESYRSVAVRSSSASEDLEGASFAGQYETYLNIKTEEEFLAKVKECWASFFSGRVSSYKKKMNNQIAEPLMGIVVQGLIDSEMSGVIFSRNPVTHDDRELLISASYGLGEAVVSGNVTPDTFIVNKSSFEIQKEIGAKEIYMESAAEGIAEKETSEDMRSRFCLTDEQVIELAEITKKTEDLYGYPVDIEFGIADHQIYLLQARPITTIDQDKKAAEEKRSFMITDTDMNDFWLNMESNIEGPVSPLFSSFIVPALEYGLKKSMQKFPIGVVVDEVKLYRGHIYSKNQGGQQPPSEDCGKELFPILSEHMYDIINHTYLPFYRTLDQLAQTEHTAESALEAFQKLKAFYLTAYEEHFNIVFPQILLTNKLQAMYQDIQGESENAHFYEMLTGKMNKSLETDRCLWLFSVEVQENPNLLAIFENNKPEQLQEKLEQTDEGRHFLKNVHEFLQEYGWRSVKSHDLIEQIWVENPYFALANIQNYVRNGYHFDNEFQKTKEKREKLYNEFLESIEDPGLRTEFDRYYQWTLNSANIKDDHHFYIDAMLDAKARIFLLKIGELLAENGVIQDREDLWFLYDDEVEQALLHPVSLQEKAEKRRQIFHEYELAQAPAYLGTPTKEQLKAAEEIVGAVIEDEKNTENHIFGIAASSGIATGPVKIIRDANEFSQFAPGDVLVCKMTTPLWTSLFQDAKAIITDTGGILSHAAIIAREYGIPAVLGTRTATERLRDGDIITVDGSSGKITVVSRS