Study : jhp_0145 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: SKM_A_6(1U8A) / Model_17(1U8A/A) = [3.5] Download377.6014.55MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA
Complex: S3P_A_2(2IYZ) / Model_35(2IYZ/A) = [4.0] Download631.4412.00MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA
Complex: SKM_C_3(1ZUI) / Model_2(1ZUI/A) = [5.2] Download270.1116.90MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA
Complex: ADP_A_2(3MUF) / Model_4(3MUF/A) = [5.8] Download1151.289.62MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA
Complex: OSA_A_4(3N2E) / Model_5(3N2E/A) = [6.0] Download1346.5528.19MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA
Consensus
[pKd Mean = 4.90]
-755
(s=424)
16
(s=6)
MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVRGIFEELGEDNFRMFEKNLIDELKTLKTPHIISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA