Study : SA1397 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: MRD_A_10(3DMO) / Model_64(3DMO/A) = [3.1] Download678.9210.21MSYQPHYFQEVRKAQQESYSPYSQFKVGAYLKTKDGRTFYGTNVENASYPLSICAERASLVSAISQGYRPGDFESITVTVDADKPSSPCGACRQVLKELCDDDMPVYMTNHKGDMVMMTVAELLPFGFSGKDLE
Complex: MRD_A_10(3DMO) / Model_9(3DMO/A) = [3.1] Download569.4410.21MSYQPHYFQEVRKAQQESYSPYSQFKVGAYLKTKDGRTFYGTNVENASYPLSICAERASLVSAISQGYRPGDFESITVTVDADKPSSPCGACRQVLKELCDDDMPVYMTNHKGDMVMMTVAELLPFGFSGKDLE
Complex: URD_D_13(1ZAB) / Model_32(1ZAB/D) = [3.2] Download542.776.88MSYQPHYFQEVRKAQQESYSPYSQFKVGAYLKTKDGRTFYGTNVENASYPLSICAERASLVSAISQGYRPGDFESITVTVDADKPSSPCGACRQVLKELCDDDMPVYMTNHKGDMVMMTVAELLPFGFSGKDLE
Complex: THU_A_3(1UWZ) / Model_63(1UWZ/A) = [3.4] Download653.2514.06MSYQPHYFQEVRKAQQESYSPYSQFKVGAYLKTKDGRTFYGTNVENASYPLSICAERASLVSAISQGYRPGDFESITVTVDADKPSSPCGACRQVLKELCDDDMPVYMTNHKGDMVMMTVAELLPFGFSGKDLE
Complex: CTN_D_13(2FR6) / Model_26(2FR6/D) = [3.4] Download567.108.24MSYQPHYFQEVRKAQQESYSPYSQFKVGAYLKTKDGRTFYGTNVENASYPLSICAERASLVSAISQGYRPGDFESITVTVDADKPSSPCGACRQVLKELCDDDMPVYMTNHKGDMVMMTVAELLPFGFSGKDLE
Consensus
[pKd Mean = 3.24]
-602
(s=53)
9
(s=2)
MSYQPHYFQEVRKAQQESYSPYSQFKVGAYLKTKDGRTFYGTNVENASYPLSICAERASLVSAISQGYRPGDFESITVTVDADKPSSPCGACRQVLKELCDDDMPVYMTNHKGDMVMMTVAELLPFGFSGKDLE