Study : bsu15480 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: BNG_A_3(3QE7) / Model_29(3QE7/A) = [3.5] Download916.0925.37MSKKKVNLGVRDVPTPFSWVSFSLQHLFAMFGSTILVPKLVGMSPAVALVTSGIGTLAYLLITKGQIPAYLGSSFAFISPIILVKATGGPGAAMVGAFLAGLVYGLIALLIRQLGTGWLMKILPPVVVGPVIIVIGLGLASTAVNMAMYADPNASELVYSLKHFSVAGVTLAITIICAIFLRGFLSLIPVLIGIIGGYLFALTQGIVNFQPVLDAKWFAVPEFIIPFKDYSPSVTLGIAAAMVPVAFVTMSEHIGHQMVLSKVVGQDFIKKPGLHRSIMGDSVATILASLIGGPPTTTYGENIGVLAITRVFSVFVIGGAAVIALCFGFIGKISALISSVPSAVMGGVSFLLFGIIASSGLRMLIDNKIDYENNRNLIITSVILVIGVGGAFIQVSQGGFQVSGMALAAIVGVILNLILPQAKEEQADTSEQHHI
Complex: BNG_A_3(3QE7) / Model_1(3QE7/A) = [3.5] Download1147.9025.37MSKKKVNLGVRDVPTPFSWVSFSLQHLFAMFGSTILVPKLVGMSPAVALVTSGIGTLAYLLITKGQIPAYLGSSFAFISPIILVKATGGPGAAMVGAFLAGLVYGLIALLIRQLGTGWLMKILPPVVVGPVIIVIGLGLASTAVNMAMYADPNASELVYSLKHFSVAGVTLAITIICAIFLRGFLSLIPVLIGIIGGYLFALTQGIVNFQPVLDAKWFAVPEFIIPFKDYSPSVTLGIAAAMVPVAFVTMSEHIGHQMVLSKVVGQDFIKKPGLHRSIMGDSVATILASLIGGPPTTTYGENIGVLAITRVFSVFVIGGAAVIALCFGFIGKISALISSVPSAVMGGVSFLLFGIIASSGLRMLIDNKIDYENNRNLIITSVILVIGVGGAFIQVSQGGFQVSGMALAAIVGVILNLILPQAKEEQADTSEQHHI
Complex: BNG_A_3(3QE7) / Model_19(3QE7/A) = [3.5] Download926.6725.37MSKKKVNLGVRDVPTPFSWVSFSLQHLFAMFGSTILVPKLVGMSPAVALVTSGIGTLAYLLITKGQIPAYLGSSFAFISPIILVKATGGPGAAMVGAFLAGLVYGLIALLIRQLGTGWLMKILPPVVVGPVIIVIGLGLASTAVNMAMYADPNASELVYSLKHFSVAGVTLAITIICAIFLRGFLSLIPVLIGIIGGYLFALTQGIVNFQPVLDAKWFAVPEFIIPFKDYSPSVTLGIAAAMVPVAFVTMSEHIGHQMVLSKVVGQDFIKKPGLHRSIMGDSVATILASLIGGPPTTTYGENIGVLAITRVFSVFVIGGAAVIALCFGFIGKISALISSVPSAVMGGVSFLLFGIIASSGLRMLIDNKIDYENNRNLIITSVILVIGVGGAFIQVSQGGFQVSGMALAAIVGVILNLILPQAKEEQADTSEQHHI
Consensus
[pKd Mean = 3.50]
-996
(s=106)
25
(s=0)
MSKKKVNLGVRDVPTPFSWVSFSLQHLFAMFGSTILVPKLVGMSPAVALVTSGIGTLAYLLITKGQIPAYLGSSFAFISPIILVKATGGPGAAMVGAFLAGLVYGLIALLIRQLGTGWLMKILPPVVVGPVIIVIGLGLASTAVNMAMYADPNASELVYSLKHFSVAGVTLAITIICAIFLRGFLSLIPVLIGIIGGYLFALTQGIVNFQPVLDAKWFAVPEFIIPFKDYSPSVTLGIAAAMVPVAFVTMSEHIGHQMVLSKVVGQDFIKKPGLHRSIMGDSVATILASLIGGPPTTTYGENIGVLAITRVFSVFVIGGAAVIALCFGFIGKISALISSVPSAVMGGVSFLLFGIIASSGLRMLIDNKIDYENNRNLIITSVILVIGVGGAFIQVSQGGFQVSGMALAAIVGVILNLILPQAKEEQADTSEQHHI