Study : bsu02650 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: TPT_D_8(3RO0) / Model_21(3RO0/D) = [4.8] Download1032.7212.62MRKKVLITGFDPFDKETVNPSWEAAKRLNGFETEEAIITAEQIPTVFRSALDTLRQAIQKHQPDIVICVGQAGGRMQITPERVAINLADARIPDNEGHQPIDEEISPDGPAAYWTRLPVKRMTAKMKEHGIPAAVSYTAGTFVCNYLFYGLMDHISRTSPHIRGGFIHIPYIPQQTIDKTAPSLSLDTIVRALRIAAVTAAQYDEDVKSPGGTLH
Complex: TPT_B_6(3RO0) / Model_23(3RO0/B) = [4.9] Download799.4410.77MRKKVLITGFDPFDKETVNPSWEAAKRLNGFETEEAIITAEQIPTVFRSALDTLRQAIQKHQPDIVICVGQAGGRMQITPERVAINLADARIPDNEGHQPIDEEISPDGPAAYWTRLPVKRMTAKMKEHGIPAAVSYTAGTFVCNYLFYGLMDHISRTSPHIRGGFIHIPYIPQQTIDKTAPSLSLDTIVRALRIAAVTAAQYDEDVKSPGGTLH
Complex: TPT_A_5(3RO0) / Model_3(3RO0/A) = [5.1] Download825.6710.77MRKKVLITGFDPFDKETVNPSWEAAKRLNGFETEEAIITAEQIPTVFRSALDTLRQAIQKHQPDIVICVGQAGGRMQITPERVAINLADARIPDNEGHQPIDEEISPDGPAAYWTRLPVKRMTAKMKEHGIPAAVSYTAGTFVCNYLFYGLMDHISRTSPHIRGGFIHIPYIPQQTIDKTAPSLSLDTIVRALRIAAVTAAQYDEDVKSPGGTLH
Complex: TPT_A_5(3RO0) / Model_47(3RO0/A) = [5.1] Download842.0810.77MRKKVLITGFDPFDKETVNPSWEAAKRLNGFETEEAIITAEQIPTVFRSALDTLRQAIQKHQPDIVICVGQAGGRMQITPERVAINLADARIPDNEGHQPIDEEISPDGPAAYWTRLPVKRMTAKMKEHGIPAAVSYTAGTFVCNYLFYGLMDHISRTSPHIRGGFIHIPYIPQQTIDKTAPSLSLDTIVRALRIAAVTAAQYDEDVKSPGGTLH
Complex: TPT_C_7(3RO0) / Model_22(3RO0/C) = [5.3] Download997.4312.62MRKKVLITGFDPFDKETVNPSWEAAKRLNGFETEEAIITAEQIPTVFRSALDTLRQAIQKHQPDIVICVGQAGGRMQITPERVAINLADARIPDNEGHQPIDEEISPDGPAAYWTRLPVKRMTAKMKEHGIPAAVSYTAGTFVCNYLFYGLMDHISRTSPHIRGGFIHIPYIPQQTIDKTAPSLSLDTIVRALRIAAVTAAQYDEDVKSPGGTLH
Consensus
[pKd Mean = 5.04]
-899
(s=96)
11
(s=1)
MRKKVLITGFDPFDKETVNPSWEAAKRLNGFETEEAIITAEQIPTVFRSALDTLRQAIQKHQPDIVICVGQAGGRMQITPERVAINLADARIPDNEGHQPIDEEISPDGPAAYWTRLPVKRMTAKMKEHGIPAAVSYTAGTFVCNYLFYGLMDHISRTSPHIRGGFIHIPYIPQQTIDKTAPSLSLDTIVRALRIAAVTAAQYDEDVKSPGGTLH