Study : Lmo1883 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: MPD_A_7(4MB3) / Model_6(4MB3/A) = [3.1] Download588.9724.59MNGKQVMVGGLSLLLVGAGLGAFGSTAQAATDDASVMPDISNKQVLVGYWHSWKSSGKDGYQQGTSADIALKDTPKAYNVVDVSFMKGDGVNRIPTFKPVGINDSDFRAQVGALNKEGRAVLLALGGADGHVELKAGDEEAFANEIIRQVETYGFDGLDIDLEQSAITAGDNKTVIPAALKIVKDHYKAEGKNFLITMAPEFPYLKPGSAYESYLTSLANYYDYIAPQLYNQGGDGVWVDETNQWIAQNNDTLKESFLYYMADSFINGTRGYLKIPANKFVFGLPANVDAAATGYVTDPQIVKNVFTRLQAKGTPVKGIMTWSVNWDAGKNKAGVPYNNSFSNAYGPIVGTK
Complex: EDO_A_12(3IAN) / Model_2(3IAN/A) = [3.3] Download367.5734.25MNGKQVMVGGLSLLLVGAGLGAFGSTAQAATDDASVMPDISNKQVLVGYWHSWKSSGKDGYQQGTSADIALKDTPKAYNVVDVSFMKGDGVNRIPTFKPVGINDSDFRAQVGALNKEGRAVLLALGGADGHVELKAGDEEAFANEIIRQVETYGFDGLDIDLEQSAITAGDNKTVIPAALKIVKDHYKAEGKNFLITMAPEFPYLKPGSAYESYLTSLANYYDYIAPQLYNQGGDGVWVDETNQWIAQNNDTLKESFLYYMADSFINGTRGYLKIPANKFVFGLPANVDAAATGYVTDPQIVKNVFTRLQAKGTPVKGIMTWSVNWDAGKNKAGVPYNNSFSNAYGPIVGTK
Complex: NAG_A_2(4HMD) / Model_4(4HMD/A) = [3.4] Download814.4418.44MNGKQVMVGGLSLLLVGAGLGAFGSTAQAATDDASVMPDISNKQVLVGYWHSWKSSGKDGYQQGTSADIALKDTPKAYNVVDVSFMKGDGVNRIPTFKPVGINDSDFRAQVGALNKEGRAVLLALGGADGHVELKAGDEEAFANEIIRQVETYGFDGLDIDLEQSAITAGDNKTVIPAALKIVKDHYKAEGKNFLITMAPEFPYLKPGSAYESYLTSLANYYDYIAPQLYNQGGDGVWVDETNQWIAQNNDTLKESFLYYMADSFINGTRGYLKIPANKFVFGLPANVDAAATGYVTDPQIVKNVFTRLQAKGTPVKGIMTWSVNWDAGKNKAGVPYNNSFSNAYGPIVGTK
Complex: EDO_A_4(3IAN) / Model_112(3IAN/A) = [3.4] Download349.9329.50MNGKQVMVGGLSLLLVGAGLGAFGSTAQAATDDASVMPDISNKQVLVGYWHSWKSSGKDGYQQGTSADIALKDTPKAYNVVDVSFMKGDGVNRIPTFKPVGINDSDFRAQVGALNKEGRAVLLALGGADGHVELKAGDEEAFANEIIRQVETYGFDGLDIDLEQSAITAGDNKTVIPAALKIVKDHYKAEGKNFLITMAPEFPYLKPGSAYESYLTSLANYYDYIAPQLYNQGGDGVWVDETNQWIAQNNDTLKESFLYYMADSFINGTRGYLKIPANKFVFGLPANVDAAATGYVTDPQIVKNVFTRLQAKGTPVKGIMTWSVNWDAGKNKAGVPYNNSFSNAYGPIVGTK
Complex: EDO_A_4(3IAN) / Model_2(3IAN/A) = [3.4] Download357.7029.50MNGKQVMVGGLSLLLVGAGLGAFGSTAQAATDDASVMPDISNKQVLVGYWHSWKSSGKDGYQQGTSADIALKDTPKAYNVVDVSFMKGDGVNRIPTFKPVGINDSDFRAQVGALNKEGRAVLLALGGADGHVELKAGDEEAFANEIIRQVETYGFDGLDIDLEQSAITAGDNKTVIPAALKIVKDHYKAEGKNFLITMAPEFPYLKPGSAYESYLTSLANYYDYIAPQLYNQGGDGVWVDETNQWIAQNNDTLKESFLYYMADSFINGTRGYLKIPANKFVFGLPANVDAAATGYVTDPQIVKNVFTRLQAKGTPVKGIMTWSVNWDAGKNKAGVPYNNSFSNAYGPIVGTK
Consensus
[pKd Mean = 3.32]
-495
(s=182)
27
(s=5)
MNGKQVMVGGLSLLLVGAGLGAFGSTAQAATDDASVMPDISNKQVLVGYWHSWKSSGKDGYQQGTSADIALKDTPKAYNVVDVSFMKGDGVNRIPTFKPVGINDSDFRAQVGALNKEGRAVLLALGGADGHVELKAGDEEAFANEIIRQVETYGFDGLDIDLEQSAITAGDNKTVIPAALKIVKDHYKAEGKNFLITMAPEFPYLKPGSAYESYLTSLANYYDYIAPQLYNQGGDGVWVDETNQWIAQNNDTLKESFLYYMADSFINGTRGYLKIPANKFVFGLPANVDAAATGYVTDPQIVKNVFTRLQAKGTPVKGIMTWSVNWDAGKNKAGVPYNNSFSNAYGPIVGTK