Study : gbs0050 (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: EPE_D_4(1D1P) / Model_28(1D1P/B) = [3.1] Download742.739.92MKKVCFVCLGNICRSPMAEFVMANLDKEDSLSVESRATSTWEHGNPIHRGTQAILQRYQIPYINDKGSQPISKDDLAYFDYIIGMDEQNVKDLKALSQGTYDDKISLFCDGGVPDPWYTGDFEETYRLVNDGCKQWLTLINNSRD
Complex: ADE_B_6(1D2A) / Model_30(1D2A/B) = [3.5] Download316.4816.73MKKVCFVCLGNICRSPMAEFVMANLDKEDSLSVESRATSTWEHGNPIHRGTQAILQRYQIPYINDKGSQPISKDDLAYFDYIIGMDEQNVKDLKALSQGTYDDKISLFCDGGVPDPWYTGDFEETYRLVNDGCKQWLTLINNSRD
Complex: EPE_C_3(1D1P) / Model_10(1D1P/A) = [3.6] Download649.3510.75MKKVCFVCLGNICRSPMAEFVMANLDKEDSLSVESRATSTWEHGNPIHRGTQAILQRYQIPYINDKGSQPISKDDLAYFDYIIGMDEQNVKDLKALSQGTYDDKISLFCDGGVPDPWYTGDFEETYRLVNDGCKQWLTLINNSRD
Complex: MES_B_2(5PNT) / Model_6(5PNT/A) = [3.7] Download415.678.15MKKVCFVCLGNICRSPMAEFVMANLDKEDSLSVESRATSTWEHGNPIHRGTQAILQRYQIPYINDKGSQPISKDDLAYFDYIIGMDEQNVKDLKALSQGTYDDKISLFCDGGVPDPWYTGDFEETYRLVNDGCKQWLTLINNSRD
Complex: PMS_A_5(4Z9A) / Model_4(4Z9A/A) = [4.5] Download440.368.15MKKVCFVCLGNICRSPMAEFVMANLDKEDSLSVESRATSTWEHGNPIHRGTQAILQRYQIPYINDKGSQPISKDDLAYFDYIIGMDEQNVKDLKALSQGTYDDKISLFCDGGVPDPWYTGDFEETYRLVNDGCKQWLTLINNSRD
Consensus
[pKd Mean = 3.68]
-512
(s=157)
10
(s=3)
MKKVCFVCLGNICRSPMAEFVMANLDKEDSLSVESRATSTWEHGNPIHRGTQAILQRYQIPYINDKGSQPISKDDLAYFDYIIGMDEQNVKDLKALSQGTYDDKISLFCDGGVPDPWYTGDFEETYRLVNDGCKQWLTLINNSRD