Study : bsu07450 (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: HNE_A_4(2J3K) / Model_6(2J3K/A) = [3.1] Download1361.7716.44MTASQQQIQLARRPQGIPVHEDFRFETIPVPEPKQGEVLVKTLYVSVDPYMRGRMQDTKSYVEPFALDKALSGGVIAEVVSDGNHLKKGDIVIGNLSWQEFSAVSESALRKIDTSLAPASAYLGILGMTGLTAYFGLLDIGRPKEGETVVVSGAAGAVGSTVGQIAKIKGARVVGIAGSDEKIDYLKQELQFDEAINYKTADDIQKALQNACPDGVDVYFDNVGGPISDAVMNLLNEFARIPVCGAISSYNAESEADDMGPRVQSKLIKTKSLMQGFIVSDYSDRFSEGAKQLAEWLKAGKLHYEETITEGFENIPDAFLGLFKGENKGKQLIKVSDPS
Complex: CIY_A_4(4HFN) / Model_9(4HFN/A) = [3.1] Download1171.3222.28MTASQQQIQLARRPQGIPVHEDFRFETIPVPEPKQGEVLVKTLYVSVDPYMRGRMQDTKSYVEPFALDKALSGGVIAEVVSDGNHLKKGDIVIGNLSWQEFSAVSESALRKIDTSLAPASAYLGILGMTGLTAYFGLLDIGRPKEGETVVVSGAAGAVGSTVGQIAKIKGARVVGIAGSDEKIDYLKQELQFDEAINYKTADDIQKALQNACPDGVDVYFDNVGGPISDAVMNLLNEFARIPVCGAISSYNAESEADDMGPRVQSKLIKTKSLMQGFIVSDYSDRFSEGAKQLAEWLKAGKLHYEETITEGFENIPDAFLGLFKGENKGKQLIKVSDPS
Complex: 5OP_A_11(1V3V) / Model_13(1V3V/A) = [3.2] Download1254.9332.65MTASQQQIQLARRPQGIPVHEDFRFETIPVPEPKQGEVLVKTLYVSVDPYMRGRMQDTKSYVEPFALDKALSGGVIAEVVSDGNHLKKGDIVIGNLSWQEFSAVSESALRKIDTSLAPASAYLGILGMTGLTAYFGLLDIGRPKEGETVVVSGAAGAVGSTVGQIAKIKGARVVGIAGSDEKIDYLKQELQFDEAINYKTADDIQKALQNACPDGVDVYFDNVGGPISDAVMNLLNEFARIPVCGAISSYNAESEADDMGPRVQSKLIKTKSLMQGFIVSDYSDRFSEGAKQLAEWLKAGKLHYEETITEGFENIPDAFLGLFKGENKGKQLIKVSDPS
Complex: HNE_B_6(2J3K) / Model_37(2J3K/B) = [3.2] Download852.7830.17MTASQQQIQLARRPQGIPVHEDFRFETIPVPEPKQGEVLVKTLYVSVDPYMRGRMQDTKSYVEPFALDKALSGGVIAEVVSDGNHLKKGDIVIGNLSWQEFSAVSESALRKIDTSLAPASAYLGILGMTGLTAYFGLLDIGRPKEGETVVVSGAAGAVGSTVGQIAKIKGARVVGIAGSDEKIDYLKQELQFDEAINYKTADDIQKALQNACPDGVDVYFDNVGGPISDAVMNLLNEFARIPVCGAISSYNAESEADDMGPRVQSKLIKTKSLMQGFIVSDYSDRFSEGAKQLAEWLKAGKLHYEETITEGFENIPDAFLGLFKGENKGKQLIKVSDPS
Complex: NAP_B_4(2J3I) / Model_39(2J3I/B) = [3.6] Download532.0159.00MTASQQQIQLARRPQGIPVHEDFRFETIPVPEPKQGEVLVKTLYVSVDPYMRGRMQDTKSYVEPFALDKALSGGVIAEVVSDGNHLKKGDIVIGNLSWQEFSAVSESALRKIDTSLAPASAYLGILGMTGLTAYFGLLDIGRPKEGETVVVSGAAGAVGSTVGQIAKIKGARVVGIAGSDEKIDYLKQELQFDEAINYKTADDIQKALQNACPDGVDVYFDNVGGPISDAVMNLLNEFARIPVCGAISSYNAESEADDMGPRVQSKLIKTKSLMQGFIVSDYSDRFSEGAKQLAEWLKAGKLHYEETITEGFENIPDAFLGLFKGENKGKQLIKVSDPS
Consensus
[pKd Mean = 3.24]
-1034
(s=303)
32
(s=14)
MTASQQQIQLARRPQGIPVHEDFRFETIPVPEPKQGEVLVKTLYVSVDPYMRGRMQDTKSYVEPFALDKALSGGVIAEVVSDGNHLKKGDIVIGNLSWQEFSAVSESALRKIDTSLAPASAYLGILGMTGLTAYFGLLDIGRPKEGETVVVSGAAGAVGSTVGQIAKIKGARVVGIAGSDEKIDYLKQELQFDEAINYKTADDIQKALQNACPDGVDVYFDNVGGPISDAVMNLLNEFARIPVCGAISSYNAESEADDMGPRVQSKLIKTKSLMQGFIVSDYSDRFSEGAKQLAEWLKAGKLHYEETITEGFENIPDAFLGLFKGENKGKQLIKVSDPS