Study : Lmo1831 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: PRP_C_7(4RV4) / Model_21(4RV4/C) = [3.6] Download822.727.15MSIEKQVAEQLLEIKAVFLKPNEPFTWASGIKSPIYCDNRLTLGFPKVRQFIAKSLAEKIKQTFGEIDVVAGTATAGIPHAAWVSDLLDLPMVYVRSKAKEHGKGNQIEGPISKGQKVVVIEDLISTGGSSLKAVEALEEAGAEVVGIAAIFTYGLAKGKQLLEESGTKLVTLTNYDELIEVALNENYVTGEDMETLKEWKKNPEKWGK
Complex: GOL_B_7(2AEE) / Model_24(2AEE/B) = [3.6] Download408.844.69MSIEKQVAEQLLEIKAVFLKPNEPFTWASGIKSPIYCDNRLTLGFPKVRQFIAKSLAEKIKQTFGEIDVVAGTATAGIPHAAWVSDLLDLPMVYVRSKAKEHGKGNQIEGPISKGQKVVVIEDLISTGGSSLKAVEALEEAGAEVVGIAAIFTYGLAKGKQLLEESGTKLVTLTNYDELIEVALNENYVTGEDMETLKEWKKNPEKWGK
Complex: PRP_B_6(4RV4) / Model_22(4RV4/B) = [4.5] Download589.433.18MSIEKQVAEQLLEIKAVFLKPNEPFTWASGIKSPIYCDNRLTLGFPKVRQFIAKSLAEKIKQTFGEIDVVAGTATAGIPHAAWVSDLLDLPMVYVRSKAKEHGKGNQIEGPISKGQKVVVIEDLISTGGSSLKAVEALEEAGAEVVGIAAIFTYGLAKGKQLLEESGTKLVTLTNYDELIEVALNENYVTGEDMETLKEWKKNPEKWGK
Consensus
[pKd Mean = 3.90]
-606
(s=169)
5
(s=1)
MSIEKQVAEQLLEIKAVFLKPNEPFTWASGIKSPIYCDNRLTLGFPKVRQFIAKSLAEKIKQTFGEIDVVAGTATAGIPHAAWVSDLLDLPMVYVRSKAKEHGKGNQIEGPISKGQKVVVIEDLISTGGSSLKAVEALEEAGAEVVGIAAIFTYGLAKGKQLLEESGTKLVTLTNYDELIEVALNENYVTGEDMETLKEWKKNPEKWGK