Study : Lmo2181 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: CHAIN_G_6(4LFD) / Model_21(4LFD/C) = [3.1] Download--VKIKSFLGKSLTLVVLGVFLFSGWKIGMELYENKHNQTILDDAKAVYTKDAATTNVNGEVRDELRDLQKLNKDMVGWLTIIDTEIDYPILQSKDNDYYLHHNYKNEKARAGSIFKDYRNTNEFLDKNTIIYGHNMKDGSMFADLRKYLDKDFLVAHPTFSYESGLTNYEVEIFAVYETTTDFYYIETEFPETTDFEDYLQKVKQQSVYTSNVKVSGKDRIITLSTCDTEKDYEKGRMVIQGKLVTK
Complex: ACY_A_8(3PSQ) / Model_10(3PSQ/A) = [3.8] Download124.124.00VKIKSFLGKSLTLVVLGVFLFSGWKIGMELYENKHNQTILDDAKAVYTKDAATTNVNGEVRDELRDLQKLNKDMVGWLTIIDTEIDYPILQSKDNDYYLHHNYKNEKARAGSIFKDYRNTNEFLDKNTIIYGHNMKDGSMFADLRKYLDKDFLVAHPTFSYESGLTNYEVEIFAVYETTTDFYYIETEFPETTDFEDYLQKVKQQSVYTSNVKVSGKDRIITLSTCDTEKDYEKGRMVIQGKLVTK
Consensus
[pKd Mean = 3.45]
-124
(s=0)
4
(s=0)
VKIKSFLGKSLTLVVLGVFLFSGWKIGMELYENKHNQTILDDAKAVYTKDAATTNVNGEVRDELRDLQKLNKDMVGWLTIIDTEIDYPILQSKDNDYYLHHNYKNEKARAGSIFKDYRNTNEFLDKNTIIYGHNMKDGSMFADLRKYLDKDFLVAHPTFSYESGLTNYEVEIFAVYETTTDFYYIETEFPETTDFEDYLQKVKQQSVYTSNVKVSGKDRIITLSTCDTEKDYEKGRMVIQGKLVTK