Study : bsu19430 (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: ATP_B_8(4RV7) / Model_23(4RV7/B) = [5.9] Download1055.9117.52MKAMRYEQISENAFKGKIQVYLEQILGDASLILKTLHEKDQCLLCELDDLGHVFQDMQGIASSFYLQSYIEEFTPAFIELAKAIKALSEHKHGALIVIERADPVERFIQKGTSLHAEISSSLIESIFFPGNPLHDGALLVRENKLVSAANVLPLTTKEVDIHLGTRHRAALGMSGYTDALVLVVSEETGKMSFAKDGVLYPLISPRT
Complex: ATP_A_5(4RV7) / Model_26(4RV7/A) = [5.9] Download1163.8717.32MKAMRYEQISENAFKGKIQVYLEQILGDASLILKTLHEKDQCLLCELDDLGHVFQDMQGIASSFYLQSYIEEFTPAFIELAKAIKALSEHKHGALIVIERADPVERFIQKGTSLHAEISSSLIESIFFPGNPLHDGALLVRENKLVSAANVLPLTTKEVDIHLGTRHRAALGMSGYTDALVLVVSEETGKMSFAKDGVLYPLISPRT
Complex: ATP_C_10(4RV7) / Model_22(4RV7/C) = [5.9] Download1069.8217.32MKAMRYEQISENAFKGKIQVYLEQILGDASLILKTLHEKDQCLLCELDDLGHVFQDMQGIASSFYLQSYIEEFTPAFIELAKAIKALSEHKHGALIVIERADPVERFIQKGTSLHAEISSSLIESIFFPGNPLHDGALLVRENKLVSAANVLPLTTKEVDIHLGTRHRAALGMSGYTDALVLVVSEETGKMSFAKDGVLYPLISPRT
Complex: ATP_D_12(4RV7) / Model_21(4RV7/D) = [6.1] Download957.7517.52MKAMRYEQISENAFKGKIQVYLEQILGDASLILKTLHEKDQCLLCELDDLGHVFQDMQGIASSFYLQSYIEEFTPAFIELAKAIKALSEHKHGALIVIERADPVERFIQKGTSLHAEISSSLIESIFFPGNPLHDGALLVRENKLVSAANVLPLTTKEVDIHLGTRHRAALGMSGYTDALVLVVSEETGKMSFAKDGVLYPLISPRT
Complex: 2BA_A_3(3C1Y) / Model_27(3C1Y/A) = [6.2] Download1376.095.06MKAMRYEQISENAFKGKIQVYLEQILGDASLILKTLHEKDQCLLCELDDLGHVFQDMQGIASSFYLQSYIEEFTPAFIELAKAIKALSEHKHGALIVIERADPVERFIQKGTSLHAEISSSLIESIFFPGNPLHDGALLVRENKLVSAANVLPLTTKEVDIHLGTRHRAALGMSGYTDALVLVVSEETGKMSFAKDGVLYPLISPRT
Consensus
[pKd Mean = 6.00]
-1124
(s=141)
14
(s=5)
MKAMRYEQISENAFKGKIQVYLEQILGDASLILKTLHEKDQCLLCELDDLGHVFQDMQGIASSFYLQSYIEEFTPAFIELAKAIKALSEHKHGALIVIERADPVERFIQKGTSLHAEISSSLIESIFFPGNPLHDGALLVRENKLVSAANVLPLTTKEVDIHLGTRHRAALGMSGYTDALVLVVSEETGKMSFAKDGVLYPLISPRT