Study : B8CXT6_HALOH (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ADN_A_5(2Q83) / Model_68(2Q83/A) = [4.2] Download758.9619.60MSNAEIKDKNYKKLKRNAQNIILKYLGEKREIDGVYNNNWVFLTTDNKKPYMVKFVPQNEARRLEIENTMYKFITSKTDIPVPEVLTYGQNQHGSYLLREVIEGHSLKEYFKKTRNVENIFYEAGQILAKLHSIEFEDKGIIKPDLSVKKYDIFSKTEYLFFLEKLFVNGVISREKYSLLKKVDINYYFGGRKNVLCHCDYTPNNILVKNNQIVGIIDFEWASSAPFMDDLVSFDLFAELDGFNRQINSYYKGYKLIKEIDKFYFENINFYKFYRLITMLSYQVGVTDERYDYQFYNKMRKRFKDIIANCQF
Complex: AMP_A_3(4R78) / Model_64(4R78/A) = [4.2] Download791.5516.17MSNAEIKDKNYKKLKRNAQNIILKYLGEKREIDGVYNNNWVFLTTDNKKPYMVKFVPQNEARRLEIENTMYKFITSKTDIPVPEVLTYGQNQHGSYLLREVIEGHSLKEYFKKTRNVENIFYEAGQILAKLHSIEFEDKGIIKPDLSVKKYDIFSKTEYLFFLEKLFVNGVISREKYSLLKKVDINYYFGGRKNVLCHCDYTPNNILVKNNQIVGIIDFEWASSAPFMDDLVSFDLFAELDGFNRQINSYYKGYKLIKEIDKFYFENINFYKFYRLITMLSYQVGVTDERYDYQFYNKMRKRFKDIIANCQF
Complex: ADP_A_7(1J7L) / Model_38(1J7L/A) = [4.5] Download689.8113.96MSNAEIKDKNYKKLKRNAQNIILKYLGEKREIDGVYNNNWVFLTTDNKKPYMVKFVPQNEARRLEIENTMYKFITSKTDIPVPEVLTYGQNQHGSYLLREVIEGHSLKEYFKKTRNVENIFYEAGQILAKLHSIEFEDKGIIKPDLSVKKYDIFSKTEYLFFLEKLFVNGVISREKYSLLKKVDINYYFGGRKNVLCHCDYTPNNILVKNNQIVGIIDFEWASSAPFMDDLVSFDLFAELDGFNRQINSYYKGYKLIKEIDKFYFENINFYKFYRLITMLSYQVGVTDERYDYQFYNKMRKRFKDIIANCQF
Consensus
[pKd Mean = 4.30]
-746
(s=42)
16
(s=2)
MSNAEIKDKNYKKLKRNAQNIILKYLGEKREIDGVYNNNWVFLTTDNKKPYMVKFVPQNEARRLEIENTMYKFITSKTDIPVPEVLTYGQNQHGSYLLREVIEGHSLKEYFKKTRNVENIFYEAGQILAKLHSIEFEDKGIIKPDLSVKKYDIFSKTEYLFFLEKLFVNGVISREKYSLLKKVDINYYFGGRKNVLCHCDYTPNNILVKNNQIVGIIDFEWASSAPFMDDLVSFDLFAELDGFNRQINSYYKGYKLIKEIDKFYFENINFYKFYRLITMLSYQVGVTDERYDYQFYNKMRKRFKDIIANCQF