Study : PA5485 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: SUGAR_B_8(4BXD) / Model_22(4BXD/B) = [3.5] Download--MRSFVLLAFTLSLLAGCSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS
Complex: J0J_B_6(4BOL) / Model_18(4BOL/B) = [5.2] Download1348.9512.82MRSFVLLAFTLSLLAGCSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS
Complex: CHAIN_B_2(3D2Y) / Model_29(3D2Y/A) = [7.1] Download--MRSFVLLAFTLSLLAGCSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS
Complex: CHAIN_B_2(3D2Y) / Model_52(3D2Y/A) = [7.1] Download--MRSFVLLAFTLSLLAGCSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS
Consensus
[pKd Mean = 5.72]
-1348
(s=0)
12
(s=0)
MRSFVLLAFTLSLLAGCSSGPRLNTDYTSANQDSRVQFIVLHYTSTDLPHSLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLFPWKRLADAGLVPWPKPGELARRLAELNGQLPDVRWFQQQLARHGYLVPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAVPTS