Study : bsu32730 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: MET_A_2(4QHQ) / Model_5(4QHQ/A) = [3.3] Download2146.2222.39MKKLFLGALLLVFAGVMAACGSNNGAESGKKEIVVAATKTPHAEILKEAEPLLKEKGYTLKVKVLSDYKMYNKALADKEVDANYFQHIPYLEQEMKENTDYKLVNAGAVHLEPFGIYSKTYKSLKDLPDGATIILTNNVAEQGRMLAMLENAGLITLDSKVETVDATLKDIKKNPKNLEFKKVAPELTAKAYENKEGDAVFINVNYAIQNKLNPKKDAIEVESTKNNPYANIIAVRKGEEDSAKIKALMEVLHSKKIKDFIEKKYDGAVLPVSE
Complex: MET_A_2(4QHQ) / Model_62(4QHQ/A) = [3.5] Download1963.3723.05MKKLFLGALLLVFAGVMAACGSNNGAESGKKEIVVAATKTPHAEILKEAEPLLKEKGYTLKVKVLSDYKMYNKALADKEVDANYFQHIPYLEQEMKENTDYKLVNAGAVHLEPFGIYSKTYKSLKDLPDGATIILTNNVAEQGRMLAMLENAGLITLDSKVETVDATLKDIKKNPKNLEFKKVAPELTAKAYENKEGDAVFINVNYAIQNKLNPKKDAIEVESTKNNPYANIIAVRKGEEDSAKIKALMEVLHSKKIKDFIEKKYDGAVLPVSE
Complex: MET_A_7(4IB2) / Model_4(4IB2/A) = [3.6] Download2489.4725.00MKKLFLGALLLVFAGVMAACGSNNGAESGKKEIVVAATKTPHAEILKEAEPLLKEKGYTLKVKVLSDYKMYNKALADKEVDANYFQHIPYLEQEMKENTDYKLVNAGAVHLEPFGIYSKTYKSLKDLPDGATIILTNNVAEQGRMLAMLENAGLITLDSKVETVDATLKDIKKNPKNLEFKKVAPELTAKAYENKEGDAVFINVNYAIQNKLNPKKDAIEVESTKNNPYANIIAVRKGEEDSAKIKALMEVLHSKKIKDFIEKKYDGAVLPVSE
Complex: MET_A_7(4IB2) / Model_58(4IB2/A) = [3.6] Download2370.4822.11MKKLFLGALLLVFAGVMAACGSNNGAESGKKEIVVAATKTPHAEILKEAEPLLKEKGYTLKVKVLSDYKMYNKALADKEVDANYFQHIPYLEQEMKENTDYKLVNAGAVHLEPFGIYSKTYKSLKDLPDGATIILTNNVAEQGRMLAMLENAGLITLDSKVETVDATLKDIKKNPKNLEFKKVAPELTAKAYENKEGDAVFINVNYAIQNKLNPKKDAIEVESTKNNPYANIIAVRKGEEDSAKIKALMEVLHSKKIKDFIEKKYDGAVLPVSE
Complex: MET_B_15(4IB2) / Model_21(4IB2/B) = [3.7] Download2585.9123.45MKKLFLGALLLVFAGVMAACGSNNGAESGKKEIVVAATKTPHAEILKEAEPLLKEKGYTLKVKVLSDYKMYNKALADKEVDANYFQHIPYLEQEMKENTDYKLVNAGAVHLEPFGIYSKTYKSLKDLPDGATIILTNNVAEQGRMLAMLENAGLITLDSKVETVDATLKDIKKNPKNLEFKKVAPELTAKAYENKEGDAVFINVNYAIQNKLNPKKDAIEVESTKNNPYANIIAVRKGEEDSAKIKALMEVLHSKKIKDFIEKKYDGAVLPVSE
Consensus
[pKd Mean = 3.54]
-2311
(s=227)
23
(s=1)
MKKLFLGALLLVFAGVMAACGSNNGAESGKKEIVVAATKTPHAEILKEAEPLLKEKGYTLKVKVLSDYKMYNKALADKEVDANYFQHIPYLEQEMKENTDYKLVNAGAVHLEPFGIYSKTYKSLKDLPDGATIILTNNVAEQGRMLAMLENAGLITLDSKVETVDATLKDIKKNPKNLEFKKVAPELTAKAYENKEGDAVFINVNYAIQNKLNPKKDAIEVESTKNNPYANIIAVRKGEEDSAKIKALMEVLHSKKIKDFIEKKYDGAVLPVSE