Study : Lmo0224 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: XHP_B_10(3TYC) / Model_37(3TYC/B) = [3.1] Download490.5618.00LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNRENAQYDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL
Complex: B57_A_3(3H2A) / Model_11(3H2A/A) = [3.2] Download294.0214.78LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNRENAQYDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL
Complex: B62_B_8(3H2N) / Model_40(3H2N/B) = [3.2] Download738.1113.05LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNRENAQYDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL
Complex: B57_B_7(3H2A) / Model_44(3H2A/B) = [3.3] Download294.509.58LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNRENAQYDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL
Complex: XHP_A_3(3TYB) / Model_18(3TYB/A) = [3.3] Download480.2817.33LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNRENAQYDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL
Consensus
[pKd Mean = 3.22]
-459
(s=163)
14
(s=3)
LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNRENAQYDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL