Study : Lmo1586 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: A3N_A_4(3V7Y) / Model_13(3V7Y/A) = [3.3] Download1171.6924.95MAKTIFYFSYRKTEELHAKAKELKKITTDYGYELTDDYQKANVIISIGGDGAFLKSVRETGFRQDCLYAGIALTEQLGQYCDFHINQLDEIIKAAIEDRWLVRRYPTIYGTVNNTKAFYVLNEFNIRSSIIRTLTMDLYINDSHFETFRGDGMVISTPTGSTAYNKSVNGSIVDPLLPSMQVSELASINNNKFRTLGSSFILSPKRKLRIEIASEEGNNEFPMIGMDSEALSIQHVHEVNLEVGDRFINIIKLPKNSFWDKVKRNFL
Complex: MTA_A_2(3V7U) / Model_11(3V7U/A) = [3.5] Download1340.1527.89MAKTIFYFSYRKTEELHAKAKELKKITTDYGYELTDDYQKANVIISIGGDGAFLKSVRETGFRQDCLYAGIALTEQLGQYCDFHINQLDEIIKAAIEDRWLVRRYPTIYGTVNNTKAFYVLNEFNIRSSIIRTLTMDLYINDSHFETFRGDGMVISTPTGSTAYNKSVNGSIVDPLLPSMQVSELASINNNKFRTLGSSFILSPKRKLRIEIASEEGNNEFPMIGMDSEALSIQHVHEVNLEVGDRFINIIKLPKNSFWDKVKRNFL
Complex: CC5_A_3(2I2B) / Model_7(2I2B/A) = [3.8] Download1315.7127.89MAKTIFYFSYRKTEELHAKAKELKKITTDYGYELTDDYQKANVIISIGGDGAFLKSVRETGFRQDCLYAGIALTEQLGQYCDFHINQLDEIIKAAIEDRWLVRRYPTIYGTVNNTKAFYVLNEFNIRSSIIRTLTMDLYINDSHFETFRGDGMVISTPTGSTAYNKSVNGSIVDPLLPSMQVSELASINNNKFRTLGSSFILSPKRKLRIEIASEEGNNEFPMIGMDSEALSIQHVHEVNLEVGDRFINIIKLPKNSFWDKVKRNFL
Complex: ZAS_A_2(3V7W) / Model_12(3V7W/A) = [3.8] Download998.8423.53MAKTIFYFSYRKTEELHAKAKELKKITTDYGYELTDDYQKANVIISIGGDGAFLKSVRETGFRQDCLYAGIALTEQLGQYCDFHINQLDEIIKAAIEDRWLVRRYPTIYGTVNNTKAFYVLNEFNIRSSIIRTLTMDLYINDSHFETFRGDGMVISTPTGSTAYNKSVNGSIVDPLLPSMQVSELASINNNKFRTLGSSFILSPKRKLRIEIASEEGNNEFPMIGMDSEALSIQHVHEVNLEVGDRFINIIKLPKNSFWDKVKRNFL
Complex: AOC_A_3(3V80) / Model_14(3V80/A) = [4.1] Download1161.2628.89MAKTIFYFSYRKTEELHAKAKELKKITTDYGYELTDDYQKANVIISIGGDGAFLKSVRETGFRQDCLYAGIALTEQLGQYCDFHINQLDEIIKAAIEDRWLVRRYPTIYGTVNNTKAFYVLNEFNIRSSIIRTLTMDLYINDSHFETFRGDGMVISTPTGSTAYNKSVNGSIVDPLLPSMQVSELASINNNKFRTLGSSFILSPKRKLRIEIASEEGNNEFPMIGMDSEALSIQHVHEVNLEVGDRFINIIKLPKNSFWDKVKRNFL
Consensus
[pKd Mean = 3.70]
-1197
(s=123)
26
(s=2)
MAKTIFYFSYRKTEELHAKAKELKKITTDYGYELTDDYQKANVIISIGGDGAFLKSVRETGFRQDCLYAGIALTEQLGQYCDFHINQLDEIIKAAIEDRWLVRRYPTIYGTVNNTKAFYVLNEFNIRSSIIRTLTMDLYINDSHFETFRGDGMVISTPTGSTAYNKSVNGSIVDPLLPSMQVSELASINNNKFRTLGSSFILSPKRKLRIEIASEEGNNEFPMIGMDSEALSIQHVHEVNLEVGDRFINIIKLPKNSFWDKVKRNFL