Study : jhp_0341 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C9_S1
Complex: AL0_A_10(2AIR) / Model_82(2AIR/A) = [3.1] Download814.261.83MPKKCRHLLQTSDLSLDEIKLLLNKASVYANDFNAVSLETREKMQDKIIVALFFENSTRTVSSFEIASLRLGAKIVKLNMQTSSTSKGETLIDTFKNIHAMQPDAIITRHAFSSAPFKLAEFSQCPLINAGSGTSAHPTQALLDLLTLYRHFGSLENLKGKKIAFIGDVKNSRVANSNIKLLQRLGLEIMLCAPSSMLPITPLKTTHNIEEAIGFADILMSLRTQTERHNAPIFASLKDYGNAYCITQKRLETHAKNKEVIILHPGPVHRDIDIESAVLEDKRSKVLEQVKNGVAMRMAVLEFLLLD
Complex: EOP_A_7(2FZC) / Model_80(2FZC/A) = [3.5] Download1077.0911.29MPKKCRHLLQTSDLSLDEIKLLLNKASVYANDFNAVSLETREKMQDKIIVALFFENSTRTVSSFEIASLRLGAKIVKLNMQTSSTSKGETLIDTFKNIHAMQPDAIITRHAFSSAPFKLAEFSQCPLINAGSGTSAHPTQALLDLLTLYRHFGSLENLKGKKIAFIGDVKNSRVANSNIKLLQRLGLEIMLCAPSSMLPITPLKTTHNIEEAIGFADILMSLRTQTERHNAPIFASLKDYGNAYCITQKRLETHAKNKEVIILHPGPVHRDIDIESAVLEDKRSKVLEQVKNGVAMRMAVLEFLLLD
Complex: CP_B_11(3R7F) / Model_27(3R7F/B) = [3.5] Download320.7612.77MPKKCRHLLQTSDLSLDEIKLLLNKASVYANDFNAVSLETREKMQDKIIVALFFENSTRTVSSFEIASLRLGAKIVKLNMQTSSTSKGETLIDTFKNIHAMQPDAIITRHAFSSAPFKLAEFSQCPLINAGSGTSAHPTQALLDLLTLYRHFGSLENLKGKKIAFIGDVKNSRVANSNIKLLQRLGLEIMLCAPSSMLPITPLKTTHNIEEAIGFADILMSLRTQTERHNAPIFASLKDYGNAYCITQKRLETHAKNKEVIILHPGPVHRDIDIESAVLEDKRSKVLEQVKNGVAMRMAVLEFLLLD
Complex: NCD_G_10(1R0C) / Model_85(1R0C/G) = [3.6] Download1016.63-4.73MPKKCRHLLQTSDLSLDEIKLLLNKASVYANDFNAVSLETREKMQDKIIVALFFENSTRTVSSFEIASLRLGAKIVKLNMQTSSTSKGETLIDTFKNIHAMQPDAIITRHAFSSAPFKLAEFSQCPLINAGSGTSAHPTQALLDLLTLYRHFGSLENLKGKKIAFIGDVKNSRVANSNIKLLQRLGLEIMLCAPSSMLPITPLKTTHNIEEAIGFADILMSLRTQTERHNAPIFASLKDYGNAYCITQKRLETHAKNKEVIILHPGPVHRDIDIESAVLEDKRSKVLEQVKNGVAMRMAVLEFLLLD
Complex: NCD_A_9(1R0C) / Model_86(1R0C/A) = [3.7] Download949.532.92MPKKCRHLLQTSDLSLDEIKLLLNKASVYANDFNAVSLETREKMQDKIIVALFFENSTRTVSSFEIASLRLGAKIVKLNMQTSSTSKGETLIDTFKNIHAMQPDAIITRHAFSSAPFKLAEFSQCPLINAGSGTSAHPTQALLDLLTLYRHFGSLENLKGKKIAFIGDVKNSRVANSNIKLLQRLGLEIMLCAPSSMLPITPLKTTHNIEEAIGFADILMSLRTQTERHNAPIFASLKDYGNAYCITQKRLETHAKNKEVIILHPGPVHRDIDIESAVLEDKRSKVLEQVKNGVAMRMAVLEFLLLD
Consensus
[pKd Mean = 3.48]
-835
(s=271)
4
(s=6)
MPKKCRHLLQTSDLSLDEIKLLLNKASVYANDFNAVSLETREKMQDKIIVALFFENSTRTVSSFEIASLRLGAKIVKLNMQTSSTSKGETLIDTFKNIHAMQPDAIITRHAFSSAPFKLAEFSQCPLINAGSGTSAHPTQALLDLLTLYRHFGSLENLKGKKIAFIGDVKNSRVANSNIKLLQRLGLEIMLCAPSSMLPITPLKTTHNIEEAIGFADILMSLRTQTERHNAPIFASLKDYGNAYCITQKRLETHAKNKEVIILHPGPVHRDIDIESAVLEDKRSKVLEQVKNGVAMRMAVLEFLLLD