Study : Lmo2538 (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: URA_A_16(1BD4) / Model_39(1BD4/A) = [3.2] Download623.5123.67MANVHVINHPLVQHKLTIIRDKNTGTKAFRELVDEVATLMAYEITRDMELEDIQVETPLQTTTAKTLTGKKLGIVPILRAGLGMQDGILKLIPAAKVGHVGLYRDHDTLEPVEYFVKLPSDVEERLFIVVDPMLATGGSAIMAIDCLKKRGARNMKFMCLVAAPEGVKALQDAHPDVEIYVAGLDEKLDENGYIRPGLGDAGDRLFGTK
Complex: URA_A_17(1JLS) / Model_33(1JLS/A) = [3.3] Download386.1924.00MANVHVINHPLVQHKLTIIRDKNTGTKAFRELVDEVATLMAYEITRDMELEDIQVETPLQTTTAKTLTGKKLGIVPILRAGLGMQDGILKLIPAAKVGHVGLYRDHDTLEPVEYFVKLPSDVEERLFIVVDPMLATGGSAIMAIDCLKKRGARNMKFMCLVAAPEGVKALQDAHPDVEIYVAGLDEKLDENGYIRPGLGDAGDRLFGTK
Complex: URF_A_20(1UPF) / Model_48(1UPF/A) = [3.3] Download654.8818.42MANVHVINHPLVQHKLTIIRDKNTGTKAFRELVDEVATLMAYEITRDMELEDIQVETPLQTTTAKTLTGKKLGIVPILRAGLGMQDGILKLIPAAKVGHVGLYRDHDTLEPVEYFVKLPSDVEERLFIVVDPMLATGGSAIMAIDCLKKRGARNMKFMCLVAAPEGVKALQDAHPDVEIYVAGLDEKLDENGYIRPGLGDAGDRLFGTK
Complex: URA_C_14(1BD4) / Model_37(1BD4/C) = [3.9] Download568.5626.07MANVHVINHPLVQHKLTIIRDKNTGTKAFRELVDEVATLMAYEITRDMELEDIQVETPLQTTTAKTLTGKKLGIVPILRAGLGMQDGILKLIPAAKVGHVGLYRDHDTLEPVEYFVKLPSDVEERLFIVVDPMLATGGSAIMAIDCLKKRGARNMKFMCLVAAPEGVKALQDAHPDVEIYVAGLDEKLDENGYIRPGLGDAGDRLFGTK
Complex: URF_D_17(1UPF) / Model_12(1UPF/D) = [4.3] Download612.6321.56MANVHVINHPLVQHKLTIIRDKNTGTKAFRELVDEVATLMAYEITRDMELEDIQVETPLQTTTAKTLTGKKLGIVPILRAGLGMQDGILKLIPAAKVGHVGLYRDHDTLEPVEYFVKLPSDVEERLFIVVDPMLATGGSAIMAIDCLKKRGARNMKFMCLVAAPEGVKALQDAHPDVEIYVAGLDEKLDENGYIRPGLGDAGDRLFGTK
Consensus
[pKd Mean = 3.60]
-569
(s=95)
22
(s=2)
MANVHVINHPLVQHKLTIIRDKNTGTKAFRELVDEVATLMAYEITRDMELEDIQVETPLQTTTAKTLTGKKLGIVPILRAGLGMQDGILKLIPAAKVGHVGLYRDHDTLEPVEYFVKLPSDVEERLFIVVDPMLATGGSAIMAIDCLKKRGARNMKFMCLVAAPEGVKALQDAHPDVEIYVAGLDEKLDENGYIRPGLGDAGDRLFGTK