Study : A4W9L8_ENT38 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ADN_A_5(2Q83) / Model_100(2Q83/A) = [3.4] Download923.8931.90MWQAISHLLNEQLGEGDIELRNELPGGEIHAAWHLRFAGRDLFVKCDERELLPIFTAEADQLELLSRSKTVSVPKVWALGSDRDYSFLVMDYLPARPLDAHNAFLLGQQIARLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSTFFAEQRIGWQLELAAEKGLAFGNIDAIVDHVHQRLASHQPQPSLLHGDLWSENCALGPNGPYIFDPACFWGDRECDLAMLPLHPEQPPQIYDGYQAVSPLPPDFLDRQPIYQLYTLFNRAILFGGEHLVNAQRALDRVLAA
Complex: EDO_A_7(3F7W) / Model_89(3F7W/A) = [3.4] Download429.907.71MWQAISHLLNEQLGEGDIELRNELPGGEIHAAWHLRFAGRDLFVKCDERELLPIFTAEADQLELLSRSKTVSVPKVWALGSDRDYSFLVMDYLPARPLDAHNAFLLGQQIARLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSTFFAEQRIGWQLELAAEKGLAFGNIDAIVDHVHQRLASHQPQPSLLHGDLWSENCALGPNGPYIFDPACFWGDRECDLAMLPLHPEQPPQIYDGYQAVSPLPPDFLDRQPIYQLYTLFNRAILFGGEHLVNAQRALDRVLAA
Complex: AMP_A_3(4R78) / Model_97(4R78/A) = [3.9] Download968.9024.44MWQAISHLLNEQLGEGDIELRNELPGGEIHAAWHLRFAGRDLFVKCDERELLPIFTAEADQLELLSRSKTVSVPKVWALGSDRDYSFLVMDYLPARPLDAHNAFLLGQQIARLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSTFFAEQRIGWQLELAAEKGLAFGNIDAIVDHVHQRLASHQPQPSLLHGDLWSENCALGPNGPYIFDPACFWGDRECDLAMLPLHPEQPPQIYDGYQAVSPLPPDFLDRQPIYQLYTLFNRAILFGGEHLVNAQRALDRVLAA
Consensus
[pKd Mean = 3.57]
-774
(s=244)
21
(s=10)
MWQAISHLLNEQLGEGDIELRNELPGGEIHAAWHLRFAGRDLFVKCDERELLPIFTAEADQLELLSRSKTVSVPKVWALGSDRDYSFLVMDYLPARPLDAHNAFLLGQQIARLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSTFFAEQRIGWQLELAAEKGLAFGNIDAIVDHVHQRLASHQPQPSLLHGDLWSENCALGPNGPYIFDPACFWGDRECDLAMLPLHPEQPPQIYDGYQAVSPLPPDFLDRQPIYQLYTLFNRAILFGGEHLVNAQRALDRVLAA