Study : PA4064 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ATP_A_5(1B0U) / Model_68(1B0U/A) = [3.2] Download798.9628.44MSALITLTNLGFAWPGQAELLDIPSFHLERGESLFLKGPSGSGKTTLLGLLGGVQKPGRGSIRLLGEDLEKLSAARRDHFRVDHTGYIFQQFNLLPFLSVRENVELPCHFSALRRQRARERHGSPAQAASHLLGQLGLGGELHERRADSLSIGQQQRVAAARALIGQPELVIADEPTSALDADSREAFLQLLFAECREAGASLLFVSHDQSLAGLFDRSLSLSDLNRAARPAGL
Complex: GOL_B_11(2IXF) / Model_72(2IXF/A) = [3.9] Download336.0859.64MSALITLTNLGFAWPGQAELLDIPSFHLERGESLFLKGPSGSGKTTLLGLLGGVQKPGRGSIRLLGEDLEKLSAARRDHFRVDHTGYIFQQFNLLPFLSVRENVELPCHFSALRRQRARERHGSPAQAASHLLGQLGLGGELHERRADSLSIGQQQRVAAARALIGQPELVIADEPTSALDADSREAFLQLLFAECREAGASLLFVSHDQSLAGLFDRSLSLSDLNRAARPAGL
Complex: ANP_A_2(4AYW) / Model_82(4AYW/A) = [5.9] Download1550.4619.94MSALITLTNLGFAWPGQAELLDIPSFHLERGESLFLKGPSGSGKTTLLGLLGGVQKPGRGSIRLLGEDLEKLSAARRDHFRVDHTGYIFQQFNLLPFLSVRENVELPCHFSALRRQRARERHGSPAQAASHLLGQLGLGGELHERRADSLSIGQQQRVAAARALIGQPELVIADEPTSALDADSREAFLQLLFAECREAGASLLFVSHDQSLAGLFDRSLSLSDLNRAARPAGL
Complex: ACP_A_4(4AYT) / Model_80(4AYT/A) = [6.0] Download1167.4418.47MSALITLTNLGFAWPGQAELLDIPSFHLERGESLFLKGPSGSGKTTLLGLLGGVQKPGRGSIRLLGEDLEKLSAARRDHFRVDHTGYIFQQFNLLPFLSVRENVELPCHFSALRRQRARERHGSPAQAASHLLGQLGLGGELHERRADSLSIGQQQRVAAARALIGQPELVIADEPTSALDADSREAFLQLLFAECREAGASLLFVSHDQSLAGLFDRSLSLSDLNRAARPAGL
Complex: ACP_A_4(4AYX) / Model_79(4AYX/A) = [6.1] Download1179.5322.18MSALITLTNLGFAWPGQAELLDIPSFHLERGESLFLKGPSGSGKTTLLGLLGGVQKPGRGSIRLLGEDLEKLSAARRDHFRVDHTGYIFQQFNLLPFLSVRENVELPCHFSALRRQRARERHGSPAQAASHLLGQLGLGGELHERRADSLSIGQQQRVAAARALIGQPELVIADEPTSALDADSREAFLQLLFAECREAGASLLFVSHDQSLAGLFDRSLSLSDLNRAARPAGL
Consensus
[pKd Mean = 5.02]
-1006
(s=410)
29
(s=15)
MSALITLTNLGFAWPGQAELLDIPSFHLERGESLFLKGPSGSGKTTLLGLLGGVQKPGRGSIRLLGEDLEKLSAARRDHFRVDHTGYIFQQFNLLPFLSVRENVELPCHFSALRRQRARERHGSPAQAASHLLGQLGLGGELHERRADSLSIGQQQRVAAARALIGQPELVIADEPTSALDADSREAFLQLLFAECREAGASLLFVSHDQSLAGLFDRSLSLSDLNRAARPAGL