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: PT1_P_16(1TX0) / Model_4(1TX0/A) = [3.3] Download762.3613.22LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNRENAQYDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL
Complex: 0J5_A_3(4DAI) / Model_30(4DAI/A) = [3.3] Download606.967.39LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNRENAQYDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL
Consensus
[pKd Mean = 3.22]
-578
(s=172)
13
(s=3)
LKKWKRDHLGMVMGILNVTPDSFSDGGKYMQVEEAVARALQMAEDGAAIIDVGGISTRPGFSEVTPDEELARIIPVIKAVRTKLPDIWISVDSWRAEVAEQAILAGADMINDQWGAKKEPKIAEVAAKYDVPICLMHNRENAQYDNFLEDVKKDLLESIAIAKAASVPDEHIILDPGFGFVKTPAQNLEVLRRIDEIVALGYEVLLGTSRKSTIGLVLGTTPGDRMEGTGATTVYGFSKGCTITRVHDVLPIARMVRMTDAITGKLDITNL