Study : bsu37870 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: LMR_A_3(4IPJ) / Model_6(4IPJ/A) = [3.4] Download448.8510.17MAAFQIANKTVGKDAPVFIIAEAGINHDGKLDQAFALIDAAAEAGADAVKFQMFQADRMYQKDPGLYKTAAGKDVSIFSLVQSMEMPAEWILPLLDYCREKQVIFLSTVCDEGSADLLQSTSPSAFKIASYEINHLPLLKYVARLNRPMIFSTAGAEISDVHEAWRTIRAEGNNQIAIMHCVAKYPAPPEYSNLSVIPMLAAAFPEAVIGFSDHSEHPTEAPCAAVRLGAKLIEKHFTIDKNLPGADHSFALNPDELKEMVDGIRKTEAELKQGITKPVSEKLLGSSYKTTTAIEGEIRNFAYRGIFTTAPIQKGEAFSEDNIAVLRPGQKPQGLHPRFFELLTSGVRAVRDIPADTGIVWDDILLKDSPFHE
Complex: WQP_A_2(2WQP) / Model_7(2WQP/A) = [5.5] Download736.6714.24MAAFQIANKTVGKDAPVFIIAEAGINHDGKLDQAFALIDAAAEAGADAVKFQMFQADRMYQKDPGLYKTAAGKDVSIFSLVQSMEMPAEWILPLLDYCREKQVIFLSTVCDEGSADLLQSTSPSAFKIASYEINHLPLLKYVARLNRPMIFSTAGAEISDVHEAWRTIRAEGNNQIAIMHCVAKYPAPPEYSNLSVIPMLAAAFPEAVIGFSDHSEHPTEAPCAAVRLGAKLIEKHFTIDKNLPGADHSFALNPDELKEMVDGIRKTEAELKQGITKPVSEKLLGSSYKTTTAIEGEIRNFAYRGIFTTAPIQKGEAFSEDNIAVLRPGQKPQGLHPRFFELLTSGVRAVRDIPADTGIVWDDILLKDSPFHE
Consensus
[pKd Mean = 4.45]
-592
(s=143)
12
(s=2)
MAAFQIANKTVGKDAPVFIIAEAGINHDGKLDQAFALIDAAAEAGADAVKFQMFQADRMYQKDPGLYKTAAGKDVSIFSLVQSMEMPAEWILPLLDYCREKQVIFLSTVCDEGSADLLQSTSPSAFKIASYEINHLPLLKYVARLNRPMIFSTAGAEISDVHEAWRTIRAEGNNQIAIMHCVAKYPAPPEYSNLSVIPMLAAAFPEAVIGFSDHSEHPTEAPCAAVRLGAKLIEKHFTIDKNLPGADHSFALNPDELKEMVDGIRKTEAELKQGITKPVSEKLLGSSYKTTTAIEGEIRNFAYRGIFTTAPIQKGEAFSEDNIAVLRPGQKPQGLHPRFFELLTSGVRAVRDIPADTGIVWDDILLKDSPFHE