Study : bsu16930 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C3_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 C3_S1
Complex: AMP_A_3(4UUW) / Model_79(4UUW/A) = [4.1] Download1034.8421.38MEFPKKAEIIAVGSELLLGQIANTNAQFISKQLAEIGVNVFYHTAVGDNPERLKQVIRIAEERSDFIIFSGGLGPTKDDLTKETIANTLGRPLVLNDEAFQSIEDYFKRTKRTMSPNNRKQALVIEGSDVLANHFGMAPGMLTEHESRYYMLLPGPPSELRPMFENEAKPLLLKKMGSNEKIVSTVLRFFGIGESQLEADLEDIIDAQTNPTIAPLAADGEVTLRLTAKHADEKETERLLKETEAVILERVGEFFYGYDDTSLVKELSIACKEKGITISAAESFTGGLFSEWLTDHSGASKLFAGGVVCYTNDVKQNVLGVKKETLDRFGAVSKECASELAKGVQKLTGSDIGISFTGVAGPDAQEGHEPGHVFIGISANGKEEVHEFHFAGSRTGIRKRGAKYGCHLILKLLEQK
Complex: AMP_A_3(4UUW) / Model_4(4UUW/A) = [4.1] Download1136.6721.38MEFPKKAEIIAVGSELLLGQIANTNAQFISKQLAEIGVNVFYHTAVGDNPERLKQVIRIAEERSDFIIFSGGLGPTKDDLTKETIANTLGRPLVLNDEAFQSIEDYFKRTKRTMSPNNRKQALVIEGSDVLANHFGMAPGMLTEHESRYYMLLPGPPSELRPMFENEAKPLLLKKMGSNEKIVSTVLRFFGIGESQLEADLEDIIDAQTNPTIAPLAADGEVTLRLTAKHADEKETERLLKETEAVILERVGEFFYGYDDTSLVKELSIACKEKGITISAAESFTGGLFSEWLTDHSGASKLFAGGVVCYTNDVKQNVLGVKKETLDRFGAVSKECASELAKGVQKLTGSDIGISFTGVAGPDAQEGHEPGHVFIGISANGKEEVHEFHFAGSRTGIRKRGAKYGCHLILKLLEQK
Complex: AMP_A_3(4UUW) / Model_58(4UUW/A) = [4.1] Download1067.7221.38MEFPKKAEIIAVGSELLLGQIANTNAQFISKQLAEIGVNVFYHTAVGDNPERLKQVIRIAEERSDFIIFSGGLGPTKDDLTKETIANTLGRPLVLNDEAFQSIEDYFKRTKRTMSPNNRKQALVIEGSDVLANHFGMAPGMLTEHESRYYMLLPGPPSELRPMFENEAKPLLLKKMGSNEKIVSTVLRFFGIGESQLEADLEDIIDAQTNPTIAPLAADGEVTLRLTAKHADEKETERLLKETEAVILERVGEFFYGYDDTSLVKELSIACKEKGITISAAESFTGGLFSEWLTDHSGASKLFAGGVVCYTNDVKQNVLGVKKETLDRFGAVSKECASELAKGVQKLTGSDIGISFTGVAGPDAQEGHEPGHVFIGISANGKEEVHEFHFAGSRTGIRKRGAKYGCHLILKLLEQK
Complex: AMP_A_3(4CT9) / Model_5(4CT9/A) = [4.8] Download1197.9424.81MEFPKKAEIIAVGSELLLGQIANTNAQFISKQLAEIGVNVFYHTAVGDNPERLKQVIRIAEERSDFIIFSGGLGPTKDDLTKETIANTLGRPLVLNDEAFQSIEDYFKRTKRTMSPNNRKQALVIEGSDVLANHFGMAPGMLTEHESRYYMLLPGPPSELRPMFENEAKPLLLKKMGSNEKIVSTVLRFFGIGESQLEADLEDIIDAQTNPTIAPLAADGEVTLRLTAKHADEKETERLLKETEAVILERVGEFFYGYDDTSLVKELSIACKEKGITISAAESFTGGLFSEWLTDHSGASKLFAGGVVCYTNDVKQNVLGVKKETLDRFGAVSKECASELAKGVQKLTGSDIGISFTGVAGPDAQEGHEPGHVFIGISANGKEEVHEFHFAGSRTGIRKRGAKYGCHLILKLLEQK
Complex: ATP_A_3(4CTA) / Model_26(4CTA/A) = [5.0] Download1357.5324.53MEFPKKAEIIAVGSELLLGQIANTNAQFISKQLAEIGVNVFYHTAVGDNPERLKQVIRIAEERSDFIIFSGGLGPTKDDLTKETIANTLGRPLVLNDEAFQSIEDYFKRTKRTMSPNNRKQALVIEGSDVLANHFGMAPGMLTEHESRYYMLLPGPPSELRPMFENEAKPLLLKKMGSNEKIVSTVLRFFGIGESQLEADLEDIIDAQTNPTIAPLAADGEVTLRLTAKHADEKETERLLKETEAVILERVGEFFYGYDDTSLVKELSIACKEKGITISAAESFTGGLFSEWLTDHSGASKLFAGGVVCYTNDVKQNVLGVKKETLDRFGAVSKECASELAKGVQKLTGSDIGISFTGVAGPDAQEGHEPGHVFIGISANGKEEVHEFHFAGSRTGIRKRGAKYGCHLILKLLEQK
Consensus
[pKd Mean = 4.42]		-1158
(s=114)		22
(s=1)		MEFPKKAEIIAVGSELLLGQIANTNAQFISKQLAEIGVNVFYHTAVGDNPERLKQVIRIAEERSDFIIFSGGLGPTKDDLTKETIANTLGRPLVLNDEAFQSIEDYFKRTKRTMSPNNRKQALVIEGSDVLANHFGMAPGMLTEHESRYYMLLPGPPSELRPMFENEAKPLLLKKMGSNEKIVSTVLRFFGIGESQLEADLEDIIDAQTNPTIAPLAADGEVTLRLTAKHADEKETERLLKETEAVILERVGEFFYGYDDTSLVKELSIACKEKGITISAAESFTGGLFSEWLTDHSGASKLFAGGVVCYTNDVKQNVLGVKKETLDRFGAVSKECASELAKGVQKLTGSDIGISFTGVAGPDAQEGHEPGHVFIGISANGKEEVHEFHFAGSRTGIRKRGAKYGCHLILKLLEQK