Study : bsu22660 (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: ACY_B_14(1VC4) / Model_23(1VC4/B) = [3.1] Download505.1012.00MLEKIIKQKKEEVKTLVLPVEQPFEKRSFKEALASPNRFIGLIAEVKKASPSKGLIKEDFVPVQIAKDYEAAKADAISVLTDTPFFQGENSYLSDVKRAVSIPVLRKDFIDSLQVEESRRIGADAILLIGEVLDPLHLHELYLEAGEKGMDVLVEVHDASTLEQILKVFTPDILGVNNRNLKTFETSVKQTEQIASLVPKESLLVSESGIGSLEHLTFVNEHGARAVLIGESLMRQTSQRKAIHALFRE
Complex: 5RG_A_2(3T78) / Model_7(3T78/A) = [3.1] Download462.8112.19MLEKIIKQKKEEVKTLVLPVEQPFEKRSFKEALASPNRFIGLIAEVKKASPSKGLIKEDFVPVQIAKDYEAAKADAISVLTDTPFFQGENSYLSDVKRAVSIPVLRKDFIDSLQVEESRRIGADAILLIGEVLDPLHLHELYLEAGEKGMDVLVEVHDASTLEQILKVFTPDILGVNNRNLKTFETSVKQTEQIASLVPKESLLVSESGIGSLEHLTFVNEHGARAVLIGESLMRQTSQRKAIHALFRE
Complex: BE2_A_3(3T44) / Model_5(3T44/A) = [3.3] Download398.3018.70MLEKIIKQKKEEVKTLVLPVEQPFEKRSFKEALASPNRFIGLIAEVKKASPSKGLIKEDFVPVQIAKDYEAAKADAISVLTDTPFFQGENSYLSDVKRAVSIPVLRKDFIDSLQVEESRRIGADAILLIGEVLDPLHLHELYLEAGEKGMDVLVEVHDASTLEQILKVFTPDILGVNNRNLKTFETSVKQTEQIASLVPKESLLVSESGIGSLEHLTFVNEHGARAVLIGESLMRQTSQRKAIHALFRE
Complex: 4RG_A_2(3T55) / Model_6(3T55/A) = [5.6] Download465.948.70MLEKIIKQKKEEVKTLVLPVEQPFEKRSFKEALASPNRFIGLIAEVKKASPSKGLIKEDFVPVQIAKDYEAAKADAISVLTDTPFFQGENSYLSDVKRAVSIPVLRKDFIDSLQVEESRRIGADAILLIGEVLDPLHLHELYLEAGEKGMDVLVEVHDASTLEQILKVFTPDILGVNNRNLKTFETSVKQTEQIASLVPKESLLVSESGIGSLEHLTFVNEHGARAVLIGESLMRQTSQRKAIHALFRE
Complex: IGP_B_2(1A53) / Model_16(1A53/A) = [6.0] Download494.847.41MLEKIIKQKKEEVKTLVLPVEQPFEKRSFKEALASPNRFIGLIAEVKKASPSKGLIKEDFVPVQIAKDYEAAKADAISVLTDTPFFQGENSYLSDVKRAVSIPVLRKDFIDSLQVEESRRIGADAILLIGEVLDPLHLHELYLEAGEKGMDVLVEVHDASTLEQILKVFTPDILGVNNRNLKTFETSVKQTEQIASLVPKESLLVSESGIGSLEHLTFVNEHGARAVLIGESLMRQTSQRKAIHALFRE
Consensus
[pKd Mean = 4.22]
-465
(s=37)
11
(s=3)
MLEKIIKQKKEEVKTLVLPVEQPFEKRSFKEALASPNRFIGLIAEVKKASPSKGLIKEDFVPVQIAKDYEAAKADAISVLTDTPFFQGENSYLSDVKRAVSIPVLRKDFIDSLQVEESRRIGADAILLIGEVLDPLHLHELYLEAGEKGMDVLVEVHDASTLEQILKVFTPDILGVNNRNLKTFETSVKQTEQIASLVPKESLLVSESGIGSLEHLTFVNEHGARAVLIGESLMRQTSQRKAIHALFRE