Study : bsu03830 (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: ECA_B_5(2CHU) / Model_2(2CHU/A) = [4.2] Download1369.3426.06MKKFALLFIALVTAVVISACGNQSTSSKGSDTKKEQITVKHQLDKNGTKVPKNPKKVVVFDFGSLDTLDKLGLDDIVAGLPKQVLPKYLSKFKDDKYADVGSLKEPDFDKVAELDPDLIIISARQSESYKEFSKIAPTIYLGVDTAKYMESFKSDAETIGKIFDKEDKVKDELANIDHSIADVKKTAEKLNKNGLVIMANDGKISAFGPKSRYGLIHDVFGVAPADQNIKASTHGQSVSYEYISKTNPDYLFVIDRGTAIGETSSTKQVVENDYVKNVNAVKNGHVIYLDSATWYLSGGGLESMTQMIKEVKDGLEK
Complex: LCM_A_3(5A1J) / Model_4(5A1J/A) = [6.4] Download1268.4315.83MKKFALLFIALVTAVVISACGNQSTSSKGSDTKKEQITVKHQLDKNGTKVPKNPKKVVVFDFGSLDTLDKLGLDDIVAGLPKQVLPKYLSKFKDDKYADVGSLKEPDFDKVAELDPDLIIISARQSESYKEFSKIAPTIYLGVDTAKYMESFKSDAETIGKIFDKEDKVKDELANIDHSIADVKKTAEKLNKNGLVIMANDGKISAFGPKSRYGLIHDVFGVAPADQNIKASTHGQSVSYEYISKTNPDYLFVIDRGTAIGETSSTKQVVENDYVKNVNAVKNGHVIYLDSATWYLSGGGLESMTQMIKEVKDGLEK
Consensus
[pKd Mean = 5.30]
-1318
(s=50)
20
(s=5)
MKKFALLFIALVTAVVISACGNQSTSSKGSDTKKEQITVKHQLDKNGTKVPKNPKKVVVFDFGSLDTLDKLGLDDIVAGLPKQVLPKYLSKFKDDKYADVGSLKEPDFDKVAELDPDLIIISARQSESYKEFSKIAPTIYLGVDTAKYMESFKSDAETIGKIFDKEDKVKDELANIDHSIADVKKTAEKLNKNGLVIMANDGKISAFGPKSRYGLIHDVFGVAPADQNIKASTHGQSVSYEYISKTNPDYLFVIDRGTAIGETSSTKQVVENDYVKNVNAVKNGHVIYLDSATWYLSGGGLESMTQMIKEVKDGLEK