Study : SAP012 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: NACID_B_1(1XSD) / Model_1(1XSD/A) = [4.6] Download--MTNKQVEISMAEWDVMNIIWDKKSVSANEIVVEIQKYKEVSDKTIRTLITRLYKKEIIKRYKSENIYFYSSNIKEDDIKMKTAKTFLNKLYGGDMKSLVLNFAKNEELNNKEIEELRDILNDISKK
Complex: NACID_C_1(1SAX) / Model_21(1SAX/B) = [5.8] Download--MTNKQVEISMAEWDVMNIIWDKKSVSANEIVVEIQKYKEVSDKTIRTLITRLYKKEIIKRYKSENIYFYSSNIKEDDIKMKTAKTFLNKLYGGDMKSLVLNFAKNEELNNKEIEELRDILNDISKK
Complex: NACID_D_2(1SAX) / Model_5(1SAX/A) = [6.0] Download--MTNKQVEISMAEWDVMNIIWDKKSVSANEIVVEIQKYKEVSDKTIRTLITRLYKKEIIKRYKSENIYFYSSNIKEDDIKMKTAKTFLNKLYGGDMKSLVLNFAKNEELNNKEIEELRDILNDISKK
Consensus
[pKd Mean = 5.47]
-0
(s=0)
0
(s=0)
MTNKQVEISMAEWDVMNIIWDKKSVSANEIVVEIQKYKEVSDKTIRTLITRLYKKEIIKRYKSENIYFYSSNIKEDDIKMKTAKTFLNKLYGGDMKSLVLNFAKNEELNNKEIEELRDILNDISKK