Study : SA1078 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: FMT_A_5(1O87) / Model_44(1O87/A) = [3.1] Download156.7346.23MSFFKRLKDKFATNKENEEVKSLREEQGQDKLEDTHSEGSTQDVNDLAENAEVKKKPRKLSEADFDDDGLISIEDFEEIEAQKMGAKFKAGLEKSRQNFQEQLNNLIARYRKVDEDFFEALEEMLITADVGFNTVMTLTEELRMEAQRRNIQDTEDLREVIVEKIVEIYHQEDDNSEAMNIEDGRLNVILMVGVNGVGKTTTIGKLAYRYKMEGKKVMLAAGDTFRAGAIDQLKVWGERVGVDVISQSEGSDPAAVMYDAINAAKNKGVDILICDTAGRLQNKTNLMQELEKVKRVINRAVPDAPHEALLCLDATTGQNALSQARNFKEVTNVTGIVLTKLDGTAKGGIVLAIRNELHIPVKYVGLGEQLDDLQPFNPESYVYGLFADMIEQNDEITTVENDQIVTEEKDDNHGAK
Complex: GDP_D_18(4C7O) / Model_22(4C7O/D) = [3.2] Download1486.186.50MSFFKRLKDKFATNKENEEVKSLREEQGQDKLEDTHSEGSTQDVNDLAENAEVKKKPRKLSEADFDDDGLISIEDFEEIEAQKMGAKFKAGLEKSRQNFQEQLNNLIARYRKVDEDFFEALEEMLITADVGFNTVMTLTEELRMEAQRRNIQDTEDLREVIVEKIVEIYHQEDDNSEAMNIEDGRLNVILMVGVNGVGKTTTIGKLAYRYKMEGKKVMLAAGDTFRAGAIDQLKVWGERVGVDVISQSEGSDPAAVMYDAINAAKNKGVDILICDTAGRLQNKTNLMQELEKVKRVINRAVPDAPHEALLCLDATTGQNALSQARNFKEVTNVTGIVLTKLDGTAKGGIVLAIRNELHIPVKYVGLGEQLDDLQPFNPESYVYGLFADMIEQNDEITTVENDQIVTEEKDDNHGAK
Complex: ACY_A_9(1JPN) / Model_47(1JPN/A) = [3.2] Download100.5815.00MSFFKRLKDKFATNKENEEVKSLREEQGQDKLEDTHSEGSTQDVNDLAENAEVKKKPRKLSEADFDDDGLISIEDFEEIEAQKMGAKFKAGLEKSRQNFQEQLNNLIARYRKVDEDFFEALEEMLITADVGFNTVMTLTEELRMEAQRRNIQDTEDLREVIVEKIVEIYHQEDDNSEAMNIEDGRLNVILMVGVNGVGKTTTIGKLAYRYKMEGKKVMLAAGDTFRAGAIDQLKVWGERVGVDVISQSEGSDPAAVMYDAINAAKNKGVDILICDTAGRLQNKTNLMQELEKVKRVINRAVPDAPHEALLCLDATTGQNALSQARNFKEVTNVTGIVLTKLDGTAKGGIVLAIRNELHIPVKYVGLGEQLDDLQPFNPESYVYGLFADMIEQNDEITTVENDQIVTEEKDDNHGAK
Complex: GOL_B_14(3DMD) / Model_33(3DMD/B) = [3.4] Download551.950.43MSFFKRLKDKFATNKENEEVKSLREEQGQDKLEDTHSEGSTQDVNDLAENAEVKKKPRKLSEADFDDDGLISIEDFEEIEAQKMGAKFKAGLEKSRQNFQEQLNNLIARYRKVDEDFFEALEEMLITADVGFNTVMTLTEELRMEAQRRNIQDTEDLREVIVEKIVEIYHQEDDNSEAMNIEDGRLNVILMVGVNGVGKTTTIGKLAYRYKMEGKKVMLAAGDTFRAGAIDQLKVWGERVGVDVISQSEGSDPAAVMYDAINAAKNKGVDILICDTAGRLQNKTNLMQELEKVKRVINRAVPDAPHEALLCLDATTGQNALSQARNFKEVTNVTGIVLTKLDGTAKGGIVLAIRNELHIPVKYVGLGEQLDDLQPFNPESYVYGLFADMIEQNDEITTVENDQIVTEEKDDNHGAK
Complex: EDO_B_13(3NG1) / Model_49(3NG1/B) = [3.5] Download186.4543.86MSFFKRLKDKFATNKENEEVKSLREEQGQDKLEDTHSEGSTQDVNDLAENAEVKKKPRKLSEADFDDDGLISIEDFEEIEAQKMGAKFKAGLEKSRQNFQEQLNNLIARYRKVDEDFFEALEEMLITADVGFNTVMTLTEELRMEAQRRNIQDTEDLREVIVEKIVEIYHQEDDNSEAMNIEDGRLNVILMVGVNGVGKTTTIGKLAYRYKMEGKKVMLAAGDTFRAGAIDQLKVWGERVGVDVISQSEGSDPAAVMYDAINAAKNKGVDILICDTAGRLQNKTNLMQELEKVKRVINRAVPDAPHEALLCLDATTGQNALSQARNFKEVTNVTGIVLTKLDGTAKGGIVLAIRNELHIPVKYVGLGEQLDDLQPFNPESYVYGLFADMIEQNDEITTVENDQIVTEEKDDNHGAK
Consensus
[pKd Mean = 3.28]
-496
(s=519)
22
(s=19)
MSFFKRLKDKFATNKENEEVKSLREEQGQDKLEDTHSEGSTQDVNDLAENAEVKKKPRKLSEADFDDDGLISIEDFEEIEAQKMGAKFKAGLEKSRQNFQEQLNNLIARYRKVDEDFFEALEEMLITADVGFNTVMTLTEELRMEAQRRNIQDTEDLREVIVEKIVEIYHQEDDNSEAMNIEDGRLNVILMVGVNGVGKTTTIGKLAYRYKMEGKKVMLAAGDTFRAGAIDQLKVWGERVGVDVISQSEGSDPAAVMYDAINAAKNKGVDILICDTAGRLQNKTNLMQELEKVKRVINRAVPDAPHEALLCLDATTGQNALSQARNFKEVTNVTGIVLTKLDGTAKGGIVLAIRNELHIPVKYVGLGEQLDDLQPFNPESYVYGLFADMIEQNDEITTVENDQIVTEEKDDNHGAK