Study : Lmo2545 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: THR_A_2(1H73) / Model_8(1H73/A) = [3.3] Download7345.8132.18MRIRVPATTANLGPGFDSCGLALTLYLTLDIGAEADSWYIEHNIGGGIPHDETNVIIETALNLAPNLTPHHLVMTCDIPPARGLGSSSAAVVAGIELANTLAELNLSKEEKVRIAAEIEGHPDNVAPAVLGNWVVGAKLDGEDFYVRHLFPDCALIAFIPKAELLTSESRGVLPDTLPFKEAVQASSIANVMIAAILRNDMTLAGEMMERDLWHEKYRSQLVPHLAQIRDVAKNQGAYAACLSGAGPTVLVFAPRNLANKLQTSLQTLEIDADVLLLDVEGSGAEVFR
Complex: HSE_C_2(1H72) / Model_6(1H72/C) = [3.6] Download235.19-9.20MRIRVPATTANLGPGFDSCGLALTLYLTLDIGAEADSWYIEHNIGGGIPHDETNVIIETALNLAPNLTPHHLVMTCDIPPARGLGSSSAAVVAGIELANTLAELNLSKEEKVRIAAEIEGHPDNVAPAVLGNWVVGAKLDGEDFYVRHLFPDCALIAFIPKAELLTSESRGVLPDTLPFKEAVQASSIANVMIAAILRNDMTLAGEMMERDLWHEKYRSQLVPHLAQIRDVAKNQGAYAACLSGAGPTVLVFAPRNLANKLQTSLQTLEIDADVLLLDVEGSGAEVFR
Complex: ILE_A_5(1H74) / Model_7(1H74/A) = [5.1] Download9105.6234.12MRIRVPATTANLGPGFDSCGLALTLYLTLDIGAEADSWYIEHNIGGGIPHDETNVIIETALNLAPNLTPHHLVMTCDIPPARGLGSSSAAVVAGIELANTLAELNLSKEEKVRIAAEIEGHPDNVAPAVLGNWVVGAKLDGEDFYVRHLFPDCALIAFIPKAELLTSESRGVLPDTLPFKEAVQASSIANVMIAAILRNDMTLAGEMMERDLWHEKYRSQLVPHLAQIRDVAKNQGAYAACLSGAGPTVLVFAPRNLANKLQTSLQTLEIDADVLLLDVEGSGAEVFR
Consensus
[pKd Mean = 4.00]
-5562
(s=3834)
19
(s=19)
MRIRVPATTANLGPGFDSCGLALTLYLTLDIGAEADSWYIEHNIGGGIPHDETNVIIETALNLAPNLTPHHLVMTCDIPPARGLGSSSAAVVAGIELANTLAELNLSKEEKVRIAAEIEGHPDNVAPAVLGNWVVGAKLDGEDFYVRHLFPDCALIAFIPKAELLTSESRGVLPDTLPFKEAVQASSIANVMIAAILRNDMTLAGEMMERDLWHEKYRSQLVPHLAQIRDVAKNQGAYAACLSGAGPTVLVFAPRNLANKLQTSLQTLEIDADVLLLDVEGSGAEVFR