Study : Lmo1144 (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: GOL_B_9(3I96) / Model_18(3I96/B) = [3.2] Download538.21-6.25MSFDDNKERVIQEYVPGKQVTLAHLIANPNRDIYTKLGLEEGASAIGILTITPSEASIIASDIATKSGDVRIGFIDRFSGSVVLTGDVSSVESALQQVVFSLHEILDFSIPKITRS
Complex: GOL_B_5(3I96) / Model_18(3I96/B) = [3.4] Download549.13-5.83MSFDDNKERVIQEYVPGKQVTLAHLIANPNRDIYTKLGLEEGASAIGILTITPSEASIIASDIATKSGDVRIGFIDRFSGSVVLTGDVSSVESALQQVVFSLHEILDFSIPKITRS
Consensus
[pKd Mean = 3.30]
-543
(s=5)
-6
(s=0)
MSFDDNKERVIQEYVPGKQVTLAHLIANPNRDIYTKLGLEEGASAIGILTITPSEASIIASDIATKSGDVRIGFIDRFSGSVVLTGDVSSVESALQQVVFSLHEILDFSIPKITRS