Study : bsu25070 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: H6P_B_8(4S23) / Model_26(4S23/B) = [4.8] Download502.26-9.83MQVSEITHRTKTRPVKVGPLTIGGNNEVVIQSMTTTKTHDVEATVAEINRLAEAGCQIVRVACPDERAANAIADIKKRISIPLVVDIHFDYKLALKAIEGGADKIRINPGNIGRREKVEAVVKAAKDKGIPIRIGVNAGSLEKRILEKYGYPTADGMVESALHHIKILEDLDFHDIIVSMKASDVNLAIEAYEKAAKAFDYPLHLGITESGTLFAGTVKSAAGLGAILSKGIGNTMRISLSADPVEEVKVARELLKSFGLASNAATLISCPTCGRIEIDLISIANEVEEYISKIKAPIKVAVLGCAVNGPGEAREADIGIAGARGEGLLFRKGKIVRKVPEETMVEELKKEIDILAEEHYAKLEAEKAKLKEETQKA
Complex: DPO_A_3(4S3D) / Model_9(4S3D/A) = [5.1] Download429.85-8.56MQVSEITHRTKTRPVKVGPLTIGGNNEVVIQSMTTTKTHDVEATVAEINRLAEAGCQIVRVACPDERAANAIADIKKRISIPLVVDIHFDYKLALKAIEGGADKIRINPGNIGRREKVEAVVKAAKDKGIPIRIGVNAGSLEKRILEKYGYPTADGMVESALHHIKILEDLDFHDIIVSMKASDVNLAIEAYEKAAKAFDYPLHLGITESGTLFAGTVKSAAGLGAILSKGIGNTMRISLSADPVEEVKVARELLKSFGLASNAATLISCPTCGRIEIDLISIANEVEEYISKIKAPIKVAVLGCAVNGPGEAREADIGIAGARGEGLLFRKGKIVRKVPEETMVEELKKEIDILAEEHYAKLEAEKAKLKEETQKA
Complex: H6P_A_3(4S39) / Model_7(4S39/A) = [5.3] Download375.37-9.32MQVSEITHRTKTRPVKVGPLTIGGNNEVVIQSMTTTKTHDVEATVAEINRLAEAGCQIVRVACPDERAANAIADIKKRISIPLVVDIHFDYKLALKAIEGGADKIRINPGNIGRREKVEAVVKAAKDKGIPIRIGVNAGSLEKRILEKYGYPTADGMVESALHHIKILEDLDFHDIIVSMKASDVNLAIEAYEKAAKAFDYPLHLGITESGTLFAGTVKSAAGLGAILSKGIGNTMRISLSADPVEEVKVARELLKSFGLASNAATLISCPTCGRIEIDLISIANEVEEYISKIKAPIKVAVLGCAVNGPGEAREADIGIAGARGEGLLFRKGKIVRKVPEETMVEELKKEIDILAEEHYAKLEAEKAKLKEETQKA
Complex: H6P_A_3(4S39) / Model_48(4S39/A) = [5.3] Download486.78-9.32MQVSEITHRTKTRPVKVGPLTIGGNNEVVIQSMTTTKTHDVEATVAEINRLAEAGCQIVRVACPDERAANAIADIKKRISIPLVVDIHFDYKLALKAIEGGADKIRINPGNIGRREKVEAVVKAAKDKGIPIRIGVNAGSLEKRILEKYGYPTADGMVESALHHIKILEDLDFHDIIVSMKASDVNLAIEAYEKAAKAFDYPLHLGITESGTLFAGTVKSAAGLGAILSKGIGNTMRISLSADPVEEVKVARELLKSFGLASNAATLISCPTCGRIEIDLISIANEVEEYISKIKAPIKVAVLGCAVNGPGEAREADIGIAGARGEGLLFRKGKIVRKVPEETMVEELKKEIDILAEEHYAKLEAEKAKLKEETQKA
Complex: 43W_A_3(4S3F) / Model_11(4S3F/A) = [5.6] Download612.12-8.56MQVSEITHRTKTRPVKVGPLTIGGNNEVVIQSMTTTKTHDVEATVAEINRLAEAGCQIVRVACPDERAANAIADIKKRISIPLVVDIHFDYKLALKAIEGGADKIRINPGNIGRREKVEAVVKAAKDKGIPIRIGVNAGSLEKRILEKYGYPTADGMVESALHHIKILEDLDFHDIIVSMKASDVNLAIEAYEKAAKAFDYPLHLGITESGTLFAGTVKSAAGLGAILSKGIGNTMRISLSADPVEEVKVARELLKSFGLASNAATLISCPTCGRIEIDLISIANEVEEYISKIKAPIKVAVLGCAVNGPGEAREADIGIAGARGEGLLFRKGKIVRKVPEETMVEELKKEIDILAEEHYAKLEAEKAKLKEETQKA
Consensus
[pKd Mean = 5.22]
-481
(s=79)
-9
(s=0)
MQVSEITHRTKTRPVKVGPLTIGGNNEVVIQSMTTTKTHDVEATVAEINRLAEAGCQIVRVACPDERAANAIADIKKRISIPLVVDIHFDYKLALKAIEGGADKIRINPGNIGRREKVEAVVKAAKDKGIPIRIGVNAGSLEKRILEKYGYPTADGMVESALHHIKILEDLDFHDIIVSMKASDVNLAIEAYEKAAKAFDYPLHLGITESGTLFAGTVKSAAGLGAILSKGIGNTMRISLSADPVEEVKVARELLKSFGLASNAATLISCPTCGRIEIDLISIANEVEEYISKIKAPIKVAVLGCAVNGPGEAREADIGIAGARGEGLLFRKGKIVRKVPEETMVEELKKEIDILAEEHYAKLEAEKAKLKEETQKA