Study : bsu39520 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: FMN_A_3(3B9O) / Model_5(3B9O/A) = [5.7] Download1317.5713.90MTSKKKQIKLGVFLAGTGHHVASWRHPDAPSDASMNLDYFKELAKTAERGKLDMLFLADSLSIDSKSHPNVLTRFEPFTLLSALAQVTSKIGLTATASTTYSEPFHIARQFASLDHLSNGRAGWNVVTSSIESTALNFSGEKHLEHHLRYQRAEEFVEIVKGLWDSWEEDAFIRNKETGEFFDKEKMHELNHKGEYFSVRGPLNVSRTPQGQPVIIQAGSSGDGKALAAKTAEVIFTAQNHLESAQEFYQSIKEQAAEFGRDPEKIAIMPGIFPIIADTEEAAQAKYKELQDLIIPSVGLQILQNYLGGIDLSAYPLDGPLPKLDAEASNAVKSRFKLVQEMAERDNMTIRELYKYVAGSRGHHIFVGTPEQLADKMQEWVDTKACDGFNIMPPLLPEGIEVFVDQVVPILQERGVFRKEYEGTTLREHFGLEKPVNRYAK
Complex: FMN_A_3(1YW1) / Model_2(1YW1/A) = [5.8] Download1389.6823.14MTSKKKQIKLGVFLAGTGHHVASWRHPDAPSDASMNLDYFKELAKTAERGKLDMLFLADSLSIDSKSHPNVLTRFEPFTLLSALAQVTSKIGLTATASTTYSEPFHIARQFASLDHLSNGRAGWNVVTSSIESTALNFSGEKHLEHHLRYQRAEEFVEIVKGLWDSWEEDAFIRNKETGEFFDKEKMHELNHKGEYFSVRGPLNVSRTPQGQPVIIQAGSSGDGKALAAKTAEVIFTAQNHLESAQEFYQSIKEQAAEFGRDPEKIAIMPGIFPIIADTEEAAQAKYKELQDLIIPSVGLQILQNYLGGIDLSAYPLDGPLPKLDAEASNAVKSRFKLVQEMAERDNMTIRELYKYVAGSRGHHIFVGTPEQLADKMQEWVDTKACDGFNIMPPLLPEGIEVFVDQVVPILQERGVFRKEYEGTTLREHFGLEKPVNRYAK
Complex: FMN_B_4(3B9O) / Model_14(3B9O/B) = [6.1] Download1284.7813.10MTSKKKQIKLGVFLAGTGHHVASWRHPDAPSDASMNLDYFKELAKTAERGKLDMLFLADSLSIDSKSHPNVLTRFEPFTLLSALAQVTSKIGLTATASTTYSEPFHIARQFASLDHLSNGRAGWNVVTSSIESTALNFSGEKHLEHHLRYQRAEEFVEIVKGLWDSWEEDAFIRNKETGEFFDKEKMHELNHKGEYFSVRGPLNVSRTPQGQPVIIQAGSSGDGKALAAKTAEVIFTAQNHLESAQEFYQSIKEQAAEFGRDPEKIAIMPGIFPIIADTEEAAQAKYKELQDLIIPSVGLQILQNYLGGIDLSAYPLDGPLPKLDAEASNAVKSRFKLVQEMAERDNMTIRELYKYVAGSRGHHIFVGTPEQLADKMQEWVDTKACDGFNIMPPLLPEGIEVFVDQVVPILQERGVFRKEYEGTTLREHFGLEKPVNRYAK
Consensus
[pKd Mean = 5.87]
-1330
(s=43)
16
(s=4)
MTSKKKQIKLGVFLAGTGHHVASWRHPDAPSDASMNLDYFKELAKTAERGKLDMLFLADSLSIDSKSHPNVLTRFEPFTLLSALAQVTSKIGLTATASTTYSEPFHIARQFASLDHLSNGRAGWNVVTSSIESTALNFSGEKHLEHHLRYQRAEEFVEIVKGLWDSWEEDAFIRNKETGEFFDKEKMHELNHKGEYFSVRGPLNVSRTPQGQPVIIQAGSSGDGKALAAKTAEVIFTAQNHLESAQEFYQSIKEQAAEFGRDPEKIAIMPGIFPIIADTEEAAQAKYKELQDLIIPSVGLQILQNYLGGIDLSAYPLDGPLPKLDAEASNAVKSRFKLVQEMAERDNMTIRELYKYVAGSRGHHIFVGTPEQLADKMQEWVDTKACDGFNIMPPLLPEGIEVFVDQVVPILQERGVFRKEYEGTTLREHFGLEKPVNRYAK