Study : 236_tI_DAUCA (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: DAO_E_5(2ALG) / Model_19(2ALG/A) = [3.7] Download804.7843.71VLTCGQVTGALAPCLGYLRSQVNVPVPLTCCNVVRGLNNAARTTLDKRTACGCLKQTANAVTGLNLNAAAGLPARCGVNIPYKISPTTDCNRVV
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.4] Download1114.0046.30VLTCGQVTGALAPCLGYLRSQVNVPVPLTCCNVVRGLNNAARTTLDKRTACGCLKQTANAVTGLNLNAAAGLPARCGVNIPYKISPTTDCNRVV
Complex: LPC_A_3(1BWO) / Model_21(1BWO/A) = [6.5] Download1527.6740.32VLTCGQVTGALAPCLGYLRSQVNVPVPLTCCNVVRGLNNAARTTLDKRTACGCLKQTANAVTGLNLNAAAGLPARCGVNIPYKISPTTDCNRVV
Consensus
[pKd Mean = 5.20]
-1148
(s=296)
43
(s=2)
VLTCGQVTGALAPCLGYLRSQVNVPVPLTCCNVVRGLNNAARTTLDKRTACGCLKQTANAVTGLNLNAAAGLPARCGVNIPYKISPTTDCNRVV