Study : Lmo0231 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: CIR_A_4(4GVY) / Model_4(4GVY/A) = [3.1] Download881.1012.54MNVFEPRLSSWLENAGDDDDVVLSSRIRLARNLKDEQFPIYEQKEEIVDNIAEVFDDNFILIKMNQISLLQKALLVEKHLISPYMMNKSEYGAVLLNEEENVSIMLNEEDHLRIQCMTPGLRLFDALEAALQIDGYVEEKLSYAFDKEFGYLTSCVTNIGTGMRASVMVHLPGLVTTKRIKSVIEAIRSLGFVVRGIYGEGSMPASNIFQVSNQVTLGKTEAEIVEDLTQVMEQIIMQERVARTTLKQKFHIALEDRVFRSYGLLMNCRIISMKEAADAISDIRFGVELGFFEHISRQKMNELVLFSQPAFLRREAGRDMDELEEKVIRAKVIREILGDK
Complex: ILO_A_4(4GW0) / Model_6(4GW0/A) = [3.5] Download843.38-19.33MNVFEPRLSSWLENAGDDDDVVLSSRIRLARNLKDEQFPIYEQKEEIVDNIAEVFDDNFILIKMNQISLLQKALLVEKHLISPYMMNKSEYGAVLLNEEENVSIMLNEEDHLRIQCMTPGLRLFDALEAALQIDGYVEEKLSYAFDKEFGYLTSCVTNIGTGMRASVMVHLPGLVTTKRIKSVIEAIRSLGFVVRGIYGEGSMPASNIFQVSNQVTLGKTEAEIVEDLTQVMEQIIMQERVARTTLKQKFHIALEDRVFRSYGLLMNCRIISMKEAADAISDIRFGVELGFFEHISRQKMNELVLFSQPAFLRREAGRDMDELEEKVIRAKVIREILGDK
Complex: DAR_A_5(4GVZ) / Model_5(4GVZ/A) = [3.9] Download561.23-16.09MNVFEPRLSSWLENAGDDDDVVLSSRIRLARNLKDEQFPIYEQKEEIVDNIAEVFDDNFILIKMNQISLLQKALLVEKHLISPYMMNKSEYGAVLLNEEENVSIMLNEEDHLRIQCMTPGLRLFDALEAALQIDGYVEEKLSYAFDKEFGYLTSCVTNIGTGMRASVMVHLPGLVTTKRIKSVIEAIRSLGFVVRGIYGEGSMPASNIFQVSNQVTLGKTEAEIVEDLTQVMEQIIMQERVARTTLKQKFHIALEDRVFRSYGLLMNCRIISMKEAADAISDIRFGVELGFFEHISRQKMNELVLFSQPAFLRREAGRDMDELEEKVIRAKVIREILGDK
Complex: DAR_A_6(1BG0) / Model_1(1BG0/A) = [4.1] Download589.22-16.70MNVFEPRLSSWLENAGDDDDVVLSSRIRLARNLKDEQFPIYEQKEEIVDNIAEVFDDNFILIKMNQISLLQKALLVEKHLISPYMMNKSEYGAVLLNEEENVSIMLNEEDHLRIQCMTPGLRLFDALEAALQIDGYVEEKLSYAFDKEFGYLTSCVTNIGTGMRASVMVHLPGLVTTKRIKSVIEAIRSLGFVVRGIYGEGSMPASNIFQVSNQVTLGKTEAEIVEDLTQVMEQIIMQERVARTTLKQKFHIALEDRVFRSYGLLMNCRIISMKEAADAISDIRFGVELGFFEHISRQKMNELVLFSQPAFLRREAGRDMDELEEKVIRAKVIREILGDK
Complex: ARG_A_5(1M15) / Model_2(1M15/A) = [4.1] Download4471.5534.38MNVFEPRLSSWLENAGDDDDVVLSSRIRLARNLKDEQFPIYEQKEEIVDNIAEVFDDNFILIKMNQISLLQKALLVEKHLISPYMMNKSEYGAVLLNEEENVSIMLNEEDHLRIQCMTPGLRLFDALEAALQIDGYVEEKLSYAFDKEFGYLTSCVTNIGTGMRASVMVHLPGLVTTKRIKSVIEAIRSLGFVVRGIYGEGSMPASNIFQVSNQVTLGKTEAEIVEDLTQVMEQIIMQERVARTTLKQKFHIALEDRVFRSYGLLMNCRIISMKEAADAISDIRFGVELGFFEHISRQKMNELVLFSQPAFLRREAGRDMDELEEKVIRAKVIREILGDK
Consensus
[pKd Mean = 3.74]
-1469
(s=1506)
-1
(s=21)
MNVFEPRLSSWLENAGDDDDVVLSSRIRLARNLKDEQFPIYEQKEEIVDNIAEVFDDNFILIKMNQISLLQKALLVEKHLISPYMMNKSEYGAVLLNEEENVSIMLNEEDHLRIQCMTPGLRLFDALEAALQIDGYVEEKLSYAFDKEFGYLTSCVTNIGTGMRASVMVHLPGLVTTKRIKSVIEAIRSLGFVVRGIYGEGSMPASNIFQVSNQVTLGKTEAEIVEDLTQVMEQIIMQERVARTTLKQKFHIALEDRVFRSYGLLMNCRIISMKEAADAISDIRFGVELGFFEHISRQKMNELVLFSQPAFLRREAGRDMDELEEKVIRAKVIREILGDK