Study : bsu05480 (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: FMN_B_6(3BEM) / Model_1(3BEM/A) = [3.2] Download1195.8931.07MAEFTHLVNERRSASNFLSGHPITKEDLNEMFELVALAPSAFNLQHTKYVTVLDQDVKEKLKQAANGQYKVVSSSAVLLVLGDKQAYQQAADIYEGLKVLGILNKQEYDHMVQDTVSFYENRGEQFKRDEAIRNASLSAMMFMLSAKEKGWDTCPMIGFDAEAVKRILNIDDQFEVVMMITIGKEKTESRRPRGYRKPVNEFVEYM
Complex: FMN_B_6(3BEM) / Model_45(3BEM/A) = [3.2] Download1232.2531.07MAEFTHLVNERRSASNFLSGHPITKEDLNEMFELVALAPSAFNLQHTKYVTVLDQDVKEKLKQAANGQYKVVSSSAVLLVLGDKQAYQQAADIYEGLKVLGILNKQEYDHMVQDTVSFYENRGEQFKRDEAIRNASLSAMMFMLSAKEKGWDTCPMIGFDAEAVKRILNIDDQFEVVMMITIGKEKTESRRPRGYRKPVNEFVEYM
Consensus
[pKd Mean = 3.20]
-1214
(s=18)
31
(s=0)
MAEFTHLVNERRSASNFLSGHPITKEDLNEMFELVALAPSAFNLQHTKYVTVLDQDVKEKLKQAANGQYKVVSSSAVLLVLGDKQAYQQAADIYEGLKVLGILNKQEYDHMVQDTVSFYENRGEQFKRDEAIRNASLSAMMFMLSAKEKGWDTCPMIGFDAEAVKRILNIDDQFEVVMMITIGKEKTESRRPRGYRKPVNEFVEYM