Study : SA1854 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: ANP_A_3(2VWB) / Model_10(2VWB/A) = [6.1] Download887.1010.97MTKDILILAVETSCDETSVSVIKNGRDILSNTVLSQIESHKRFGGVVPEVASRHHVEGITTTINEALVDADVSMEDIDAIAVTEGPGLIGALLIGVNAAKALAFAYDKPLIPVHHIAGHIYANHIEEPLTFPLIALIVSGGHTELVYMKDHLSFEVIGETRDDAVGEAYDKVARTIGLNYPGGPQVDRLAAEGEDTYSFPRVWLDKDSYDFSFSGLKSAVINQLHNQRQKNIPIIEANVATSFQNSVVEVLTFKAIQACKEYSVQRLIVAGGVASNKGLRQSLADQCKVNDIQLTIPSPKLCTDNAAMIGVAGHSLYQQGRFADLALNGHSNIDLEEYSAE
Complex: ANP_A_3(2IVN) / Model_92(2IVN/A) = [6.2] Download898.0822.09MTKDILILAVETSCDETSVSVIKNGRDILSNTVLSQIESHKRFGGVVPEVASRHHVEGITTTINEALVDADVSMEDIDAIAVTEGPGLIGALLIGVNAAKALAFAYDKPLIPVHHIAGHIYANHIEEPLTFPLIALIVSGGHTELVYMKDHLSFEVIGETRDDAVGEAYDKVARTIGLNYPGGPQVDRLAAEGEDTYSFPRVWLDKDSYDFSFSGLKSAVINQLHNQRQKNIPIIEANVATSFQNSVVEVLTFKAIQACKEYSVQRLIVAGGVASNKGLRQSLADQCKVNDIQLTIPSPKLCTDNAAMIGVAGHSLYQQGRFADLALNGHSNIDLEEYSAE
Complex: ATP_A_6(4WQ4) / Model_2(4WQ4/A) = [6.3] Download1316.432.76MTKDILILAVETSCDETSVSVIKNGRDILSNTVLSQIESHKRFGGVVPEVASRHHVEGITTTINEALVDADVSMEDIDAIAVTEGPGLIGALLIGVNAAKALAFAYDKPLIPVHHIAGHIYANHIEEPLTFPLIALIVSGGHTELVYMKDHLSFEVIGETRDDAVGEAYDKVARTIGLNYPGGPQVDRLAAEGEDTYSFPRVWLDKDSYDFSFSGLKSAVINQLHNQRQKNIPIIEANVATSFQNSVVEVLTFKAIQACKEYSVQRLIVAGGVASNKGLRQSLADQCKVNDIQLTIPSPKLCTDNAAMIGVAGHSLYQQGRFADLALNGHSNIDLEEYSAE
Complex: AMP_B_4(3ZET) / Model_4(3ZET/B) = [6.6] Download916.16-0.71MTKDILILAVETSCDETSVSVIKNGRDILSNTVLSQIESHKRFGGVVPEVASRHHVEGITTTINEALVDADVSMEDIDAIAVTEGPGLIGALLIGVNAAKALAFAYDKPLIPVHHIAGHIYANHIEEPLTFPLIALIVSGGHTELVYMKDHLSFEVIGETRDDAVGEAYDKVARTIGLNYPGGPQVDRLAAEGEDTYSFPRVWLDKDSYDFSFSGLKSAVINQLHNQRQKNIPIIEANVATSFQNSVVEVLTFKAIQACKEYSVQRLIVAGGVASNKGLRQSLADQCKVNDIQLTIPSPKLCTDNAAMIGVAGHSLYQQGRFADLALNGHSNIDLEEYSAE
Complex: ATP_A_3(2IVP) / Model_8(2IVP/A) = [6.6] Download1054.4714.82MTKDILILAVETSCDETSVSVIKNGRDILSNTVLSQIESHKRFGGVVPEVASRHHVEGITTTINEALVDADVSMEDIDAIAVTEGPGLIGALLIGVNAAKALAFAYDKPLIPVHHIAGHIYANHIEEPLTFPLIALIVSGGHTELVYMKDHLSFEVIGETRDDAVGEAYDKVARTIGLNYPGGPQVDRLAAEGEDTYSFPRVWLDKDSYDFSFSGLKSAVINQLHNQRQKNIPIIEANVATSFQNSVVEVLTFKAIQACKEYSVQRLIVAGGVASNKGLRQSLADQCKVNDIQLTIPSPKLCTDNAAMIGVAGHSLYQQGRFADLALNGHSNIDLEEYSAE
Consensus
[pKd Mean = 6.36]
-1014
(s=162)
9
(s=8)
MTKDILILAVETSCDETSVSVIKNGRDILSNTVLSQIESHKRFGGVVPEVASRHHVEGITTTINEALVDADVSMEDIDAIAVTEGPGLIGALLIGVNAAKALAFAYDKPLIPVHHIAGHIYANHIEEPLTFPLIALIVSGGHTELVYMKDHLSFEVIGETRDDAVGEAYDKVARTIGLNYPGGPQVDRLAAEGEDTYSFPRVWLDKDSYDFSFSGLKSAVINQLHNQRQKNIPIIEANVATSFQNSVVEVLTFKAIQACKEYSVQRLIVAGGVASNKGLRQSLADQCKVNDIQLTIPSPKLCTDNAAMIGVAGHSLYQQGRFADLALNGHSNIDLEEYSAE