Study : bsu14670 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: SRT_F_6(2P3V) / Model_39(2P3V/B) = [3.1] Download775.087.52MTNWTEIDEIAKKWIREAGARITQSMHESLTIETKSNPNDLVTNIDKETEKFFIDRIQETFPGHRILGEEGQGDKIHSLEGVVWIIDPIDGTMNFVHQQRNFAISIGIFENGEGKIGLIYDVVHDELYHAFSGRGAYMNETKLAPLKETVIEEAILAINATWVTENRRIDQSVLAPLVKRVRGTRSYGSAALELANVAAGRIDAYITMRLAPWDYAAGCVLLNEVGGTYTTIEGEPFTFLENHSVLAGNPSIHKTIFEEYLHARK
Complex: IPD_B_6(1IMA) / Model_33(1IMA/B) = [3.4] Download738.927.58MTNWTEIDEIAKKWIREAGARITQSMHESLTIETKSNPNDLVTNIDKETEKFFIDRIQETFPGHRILGEEGQGDKIHSLEGVVWIIDPIDGTMNFVHQQRNFAISIGIFENGEGKIGLIYDVVHDELYHAFSGRGAYMNETKLAPLKETVIEEAILAINATWVTENRRIDQSVLAPLVKRVRGTRSYGSAALELANVAAGRIDAYITMRLAPWDYAAGCVLLNEVGGTYTTIEGEPFTFLENHSVLAGNPSIHKTIFEEYLHARK
Complex: GOL_B_15(4AS4) / Model_28(4AS4/B) = [3.4] Download610.496.05MTNWTEIDEIAKKWIREAGARITQSMHESLTIETKSNPNDLVTNIDKETEKFFIDRIQETFPGHRILGEEGQGDKIHSLEGVVWIIDPIDGTMNFVHQQRNFAISIGIFENGEGKIGLIYDVVHDELYHAFSGRGAYMNETKLAPLKETVIEEAILAINATWVTENRRIDQSVLAPLVKRVRGTRSYGSAALELANVAAGRIDAYITMRLAPWDYAAGCVLLNEVGGTYTTIEGEPFTFLENHSVLAGNPSIHKTIFEEYLHARK
Complex: IPD_A_4(1IMA) / Model_4(1IMA/A) = [3.5] Download775.867.56MTNWTEIDEIAKKWIREAGARITQSMHESLTIETKSNPNDLVTNIDKETEKFFIDRIQETFPGHRILGEEGQGDKIHSLEGVVWIIDPIDGTMNFVHQQRNFAISIGIFENGEGKIGLIYDVVHDELYHAFSGRGAYMNETKLAPLKETVIEEAILAINATWVTENRRIDQSVLAPLVKRVRGTRSYGSAALELANVAAGRIDAYITMRLAPWDYAAGCVLLNEVGGTYTTIEGEPFTFLENHSVLAGNPSIHKTIFEEYLHARK
Complex: GOL_A_7(4AS4) / Model_9(4AS4/A) = [3.5] Download603.246.05MTNWTEIDEIAKKWIREAGARITQSMHESLTIETKSNPNDLVTNIDKETEKFFIDRIQETFPGHRILGEEGQGDKIHSLEGVVWIIDPIDGTMNFVHQQRNFAISIGIFENGEGKIGLIYDVVHDELYHAFSGRGAYMNETKLAPLKETVIEEAILAINATWVTENRRIDQSVLAPLVKRVRGTRSYGSAALELANVAAGRIDAYITMRLAPWDYAAGCVLLNEVGGTYTTIEGEPFTFLENHSVLAGNPSIHKTIFEEYLHARK
Consensus
[pKd Mean = 3.38]
-700
(s=77)
6
(s=1)
MTNWTEIDEIAKKWIREAGARITQSMHESLTIETKSNPNDLVTNIDKETEKFFIDRIQETFPGHRILGEEGQGDKIHSLEGVVWIIDPIDGTMNFVHQQRNFAISIGIFENGEGKIGLIYDVVHDELYHAFSGRGAYMNETKLAPLKETVIEEAILAINATWVTENRRIDQSVLAPLVKRVRGTRSYGSAALELANVAAGRIDAYITMRLAPWDYAAGCVLLNEVGGTYTTIEGEPFTFLENHSVLAGNPSIHKTIFEEYLHARK