Study : Lmo0764 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: MPD_A_4(3R07) / Model_11(3R07/A) = [3.1] Download446.302.40VIYLDNEDVLDQAYNFAMEEYALRSLDENETYFMFYRMKPTIIVGKNQNTLEEINHPFVKDHHIDVLRRLSGGGAVYNDEGNISFSMITKDDGNSFQNFAKFTEPVIRALRKLGVNAELSGRNDIEVNGKKISGNAQFATKGRLYSHGTLLFDVDLSMLEKALQVDPEKYLSKGVKSVRSRVTTIREHLAEDIDILTFKQILLESIFETKDIPRYTFTEADKQGIEKLRTERYRNWDWTYGKSPKATIKRKKRFPAGTIEFQVSLEKGQVKEATIYGDFFGTEDVAELAEKIIGCRFERKSIQNAWQEINAKDYFGGIEKEAILDMLFE
Complex: AMP_C_8(3A7A) / Model_21(3A7A/C) = [5.6] Download841.6016.57VIYLDNEDVLDQAYNFAMEEYALRSLDENETYFMFYRMKPTIIVGKNQNTLEEINHPFVKDHHIDVLRRLSGGGAVYNDEGNISFSMITKDDGNSFQNFAKFTEPVIRALRKLGVNAELSGRNDIEVNGKKISGNAQFATKGRLYSHGTLLFDVDLSMLEKALQVDPEKYLSKGVKSVRSRVTTIREHLAEDIDILTFKQILLESIFETKDIPRYTFTEADKQGIEKLRTERYRNWDWTYGKSPKATIKRKKRFPAGTIEFQVSLEKGQVKEATIYGDFFGTEDVAELAEKIIGCRFERKSIQNAWQEINAKDYFGGIEKEAILDMLFE
Complex: AMP_A_6(3A7A) / Model_2(3A7A/A) = [6.4] Download765.0720.07VIYLDNEDVLDQAYNFAMEEYALRSLDENETYFMFYRMKPTIIVGKNQNTLEEINHPFVKDHHIDVLRRLSGGGAVYNDEGNISFSMITKDDGNSFQNFAKFTEPVIRALRKLGVNAELSGRNDIEVNGKKISGNAQFATKGRLYSHGTLLFDVDLSMLEKALQVDPEKYLSKGVKSVRSRVTTIREHLAEDIDILTFKQILLESIFETKDIPRYTFTEADKQGIEKLRTERYRNWDWTYGKSPKATIKRKKRFPAGTIEFQVSLEKGQVKEATIYGDFFGTEDVAELAEKIIGCRFERKSIQNAWQEINAKDYFGGIEKEAILDMLFE
Complex: LAQ_A_2(3A7R) / Model_3(3A7R/A) = [10.0] Download988.4321.08VIYLDNEDVLDQAYNFAMEEYALRSLDENETYFMFYRMKPTIIVGKNQNTLEEINHPFVKDHHIDVLRRLSGGGAVYNDEGNISFSMITKDDGNSFQNFAKFTEPVIRALRKLGVNAELSGRNDIEVNGKKISGNAQFATKGRLYSHGTLLFDVDLSMLEKALQVDPEKYLSKGVKSVRSRVTTIREHLAEDIDILTFKQILLESIFETKDIPRYTFTEADKQGIEKLRTERYRNWDWTYGKSPKATIKRKKRFPAGTIEFQVSLEKGQVKEATIYGDFFGTEDVAELAEKIIGCRFERKSIQNAWQEINAKDYFGGIEKEAILDMLFE
Complex: LAQ_A_2(3A7R) / Model_26(3A7R/A) = [10.0] Download873.5821.08VIYLDNEDVLDQAYNFAMEEYALRSLDENETYFMFYRMKPTIIVGKNQNTLEEINHPFVKDHHIDVLRRLSGGGAVYNDEGNISFSMITKDDGNSFQNFAKFTEPVIRALRKLGVNAELSGRNDIEVNGKKISGNAQFATKGRLYSHGTLLFDVDLSMLEKALQVDPEKYLSKGVKSVRSRVTTIREHLAEDIDILTFKQILLESIFETKDIPRYTFTEADKQGIEKLRTERYRNWDWTYGKSPKATIKRKKRFPAGTIEFQVSLEKGQVKEATIYGDFFGTEDVAELAEKIIGCRFERKSIQNAWQEINAKDYFGGIEKEAILDMLFE
Consensus
[pKd Mean = 7.02]		-782
(s=183)		16
(s=7)		VIYLDNEDVLDQAYNFAMEEYALRSLDENETYFMFYRMKPTIIVGKNQNTLEEINHPFVKDHHIDVLRRLSGGGAVYNDEGNISFSMITKDDGNSFQNFAKFTEPVIRALRKLGVNAELSGRNDIEVNGKKISGNAQFATKGRLYSHGTLLFDVDLSMLEKALQVDPEKYLSKGVKSVRSRVTTIREHLAEDIDILTFKQILLESIFETKDIPRYTFTEADKQGIEKLRTERYRNWDWTYGKSPKATIKRKKRFPAGTIEFQVSLEKGQVKEATIYGDFFGTEDVAELAEKIIGCRFERKSIQNAWQEINAKDYFGGIEKEAILDMLFE