Study : Lmo1532 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: ADE_A_5(1HQC) / Model_104(1HQC/A) = [3.2] Download395.1918.14MDERIISSETVDAEEVSFETSLRPQNLSQYIGQDKVKNNLTVFIEAATLRNEALDHVLLYGPPGLGKTTLAMVIASEMGSQIKTTSGPAIERPGDLATILTSLEPGDVLFIDEIHRLSRAIEEILYPAMEDYCLDIVIGTGPTARSVRLDLPPFTLIGATTRAGLLSAPLRDRFGVIDHLEFYTEEQLTEIVLRTSNILDTKIDDLGAREIARRSRGTPRIANRLLKRVRDFAQVRGNGTVTEKLAKEALTLLQVDPRGLDTIDQKLLHTIIQSFRGGPVGLDTIAASIGEERETIEDMQEPYLLQIGFLQRTPRGRIVTETAYNHLGISYEKEV
Complex: ADE_A_5(1HQC) / Model_9(1HQC/A) = [3.2] Download379.9318.14MDERIISSETVDAEEVSFETSLRPQNLSQYIGQDKVKNNLTVFIEAATLRNEALDHVLLYGPPGLGKTTLAMVIASEMGSQIKTTSGPAIERPGDLATILTSLEPGDVLFIDEIHRLSRAIEEILYPAMEDYCLDIVIGTGPTARSVRLDLPPFTLIGATTRAGLLSAPLRDRFGVIDHLEFYTEEQLTEIVLRTSNILDTKIDDLGAREIARRSRGTPRIANRLLKRVRDFAQVRGNGTVTEKLAKEALTLLQVDPRGLDTIDQKLLHTIIQSFRGGPVGLDTIAASIGEERETIEDMQEPYLLQIGFLQRTPRGRIVTETAYNHLGISYEKEV
Complex: ADE_A_5(1HQC) / Model_115(1HQC/A) = [3.2] Download434.7018.14MDERIISSETVDAEEVSFETSLRPQNLSQYIGQDKVKNNLTVFIEAATLRNEALDHVLLYGPPGLGKTTLAMVIASEMGSQIKTTSGPAIERPGDLATILTSLEPGDVLFIDEIHRLSRAIEEILYPAMEDYCLDIVIGTGPTARSVRLDLPPFTLIGATTRAGLLSAPLRDRFGVIDHLEFYTEEQLTEIVLRTSNILDTKIDDLGAREIARRSRGTPRIANRLLKRVRDFAQVRGNGTVTEKLAKEALTLLQVDPRGLDTIDQKLLHTIIQSFRGGPVGLDTIAASIGEERETIEDMQEPYLLQIGFLQRTPRGRIVTETAYNHLGISYEKEV
Complex: ADE_B_6(1HQC) / Model_21(1HQC/B) = [4.2] Download379.0711.83MDERIISSETVDAEEVSFETSLRPQNLSQYIGQDKVKNNLTVFIEAATLRNEALDHVLLYGPPGLGKTTLAMVIASEMGSQIKTTSGPAIERPGDLATILTSLEPGDVLFIDEIHRLSRAIEEILYPAMEDYCLDIVIGTGPTARSVRLDLPPFTLIGATTRAGLLSAPLRDRFGVIDHLEFYTEEQLTEIVLRTSNILDTKIDDLGAREIARRSRGTPRIANRLLKRVRDFAQVRGNGTVTEKLAKEALTLLQVDPRGLDTIDQKLLHTIIQSFRGGPVGLDTIAASIGEERETIEDMQEPYLLQIGFLQRTPRGRIVTETAYNHLGISYEKEV
Complex: ANP_M_13(1IXR) / Model_10(1IXR/C) = [5.0] Download1670.0329.78MDERIISSETVDAEEVSFETSLRPQNLSQYIGQDKVKNNLTVFIEAATLRNEALDHVLLYGPPGLGKTTLAMVIASEMGSQIKTTSGPAIERPGDLATILTSLEPGDVLFIDEIHRLSRAIEEILYPAMEDYCLDIVIGTGPTARSVRLDLPPFTLIGATTRAGLLSAPLRDRFGVIDHLEFYTEEQLTEIVLRTSNILDTKIDDLGAREIARRSRGTPRIANRLLKRVRDFAQVRGNGTVTEKLAKEALTLLQVDPRGLDTIDQKLLHTIIQSFRGGPVGLDTIAASIGEERETIEDMQEPYLLQIGFLQRTPRGRIVTETAYNHLGISYEKEV
Consensus
[pKd Mean = 3.76]		-651
(s=509)		19
(s=5)		MDERIISSETVDAEEVSFETSLRPQNLSQYIGQDKVKNNLTVFIEAATLRNEALDHVLLYGPPGLGKTTLAMVIASEMGSQIKTTSGPAIERPGDLATILTSLEPGDVLFIDEIHRLSRAIEEILYPAMEDYCLDIVIGTGPTARSVRLDLPPFTLIGATTRAGLLSAPLRDRFGVIDHLEFYTEEQLTEIVLRTSNILDTKIDDLGAREIARRSRGTPRIANRLLKRVRDFAQVRGNGTVTEKLAKEALTLLQVDPRGLDTIDQKLLHTIIQSFRGGPVGLDTIAASIGEERETIEDMQEPYLLQIGFLQRTPRGRIVTETAYNHLGISYEKEV