Study : bsu00140 (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: DCM_B_8(2JAT) / Model_21(2JAT/B) = [5.3] Download767.6019.86MKEHHIPKNSIITVAGTVGVGKSTLTKTLAKRLGFKTSLEEVDHNPYLEKFYHDFERWSFHLQIYFLAERFKEQKTIFEAGGGFVQDRSIYEDTGIFAKMHADKGTMSKVDYKTYTSLFEAMVMTPYFPHPDVLIYLEGDLENILNRIEQRGREMELQTSRSYWEEMHTRYENWISGFNACPVLKLRIEDYDLLNDENSIENIVDQIASVIHDNQKK
Complex: DCM_A_5(2JAT) / Model_2(2JAT/A) = [5.4] Download764.1619.86MKEHHIPKNSIITVAGTVGVGKSTLTKTLAKRLGFKTSLEEVDHNPYLEKFYHDFERWSFHLQIYFLAERFKEQKTIFEAGGGFVQDRSIYEDTGIFAKMHADKGTMSKVDYKTYTSLFEAMVMTPYFPHPDVLIYLEGDLENILNRIEQRGREMELQTSRSYWEEMHTRYENWISGFNACPVLKLRIEDYDLLNDENSIENIVDQIASVIHDNQKK
Complex: DTP_D_13(2JAS) / Model_24(2JAS/D) = [7.0] Download815.8615.11MKEHHIPKNSIITVAGTVGVGKSTLTKTLAKRLGFKTSLEEVDHNPYLEKFYHDFERWSFHLQIYFLAERFKEQKTIFEAGGGFVQDRSIYEDTGIFAKMHADKGTMSKVDYKTYTSLFEAMVMTPYFPHPDVLIYLEGDLENILNRIEQRGREMELQTSRSYWEEMHTRYENWISGFNACPVLKLRIEDYDLLNDENSIENIVDQIASVIHDNQKK
Complex: DTP_A_7(2JAS) / Model_3(2JAS/A) = [7.0] Download934.1819.78MKEHHIPKNSIITVAGTVGVGKSTLTKTLAKRLGFKTSLEEVDHNPYLEKFYHDFERWSFHLQIYFLAERFKEQKTIFEAGGGFVQDRSIYEDTGIFAKMHADKGTMSKVDYKTYTSLFEAMVMTPYFPHPDVLIYLEGDLENILNRIEQRGREMELQTSRSYWEEMHTRYENWISGFNACPVLKLRIEDYDLLNDENSIENIVDQIASVIHDNQKK
Complex: DTP_F_17(2JAS) / Model_22(2JAS/F) = [7.2] Download934.9617.66MKEHHIPKNSIITVAGTVGVGKSTLTKTLAKRLGFKTSLEEVDHNPYLEKFYHDFERWSFHLQIYFLAERFKEQKTIFEAGGGFVQDRSIYEDTGIFAKMHADKGTMSKVDYKTYTSLFEAMVMTPYFPHPDVLIYLEGDLENILNRIEQRGREMELQTSRSYWEEMHTRYENWISGFNACPVLKLRIEDYDLLNDENSIENIVDQIASVIHDNQKK
Consensus
[pKd Mean = 6.38]
-843
(s=76)
18
(s=1)
MKEHHIPKNSIITVAGTVGVGKSTLTKTLAKRLGFKTSLEEVDHNPYLEKFYHDFERWSFHLQIYFLAERFKEQKTIFEAGGGFVQDRSIYEDTGIFAKMHADKGTMSKVDYKTYTSLFEAMVMTPYFPHPDVLIYLEGDLENILNRIEQRGREMELQTSRSYWEEMHTRYENWISGFNACPVLKLRIEDYDLLNDENSIENIVDQIASVIHDNQKK