Study : C2YU92_BACCE (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: GDP_A_2(3TDW) / Model_35(3TDW/A) = [3.9] Download665.5220.91MDISIIAAQLVKEKVISHNPNSVKALNGGTTSTVYLLDEKYVVKLNEAEVIREEAHFLSFYEGNTLFSKLLYKEPLHTYIVYSFLEGSTWCEQGHKRSTLRTLVKEVINKYKIVPEADGWGWKENPVQSWNEFLTTNVMEAYENVRRYISEEEYRTVLKLANRDAGVNQPFLLHGDCGFHNFIFRENRLHGVIDPLPVLGEPLYDLIYAFCSTPEDLTKETIAYAMKQCLFHKKERDLYEEIVIGLYLRIDTCLRHHPKDLEEYLVAWRYWMDEINPAL
Complex: AMP_A_3(4R78) / Model_48(4R78/A) = [4.1] Download944.2624.08MDISIIAAQLVKEKVISHNPNSVKALNGGTTSTVYLLDEKYVVKLNEAEVIREEAHFLSFYEGNTLFSKLLYKEPLHTYIVYSFLEGSTWCEQGHKRSTLRTLVKEVINKYKIVPEADGWGWKENPVQSWNEFLTTNVMEAYENVRRYISEEEYRTVLKLANRDAGVNQPFLLHGDCGFHNFIFRENRLHGVIDPLPVLGEPLYDLIYAFCSTPEDLTKETIAYAMKQCLFHKKERDLYEEIVIGLYLRIDTCLRHHPKDLEEYLVAWRYWMDEINPAL
Complex: ADP_A_7(1J7L) / Model_56(1J7L/A) = [4.6] Download820.4914.76MDISIIAAQLVKEKVISHNPNSVKALNGGTTSTVYLLDEKYVVKLNEAEVIREEAHFLSFYEGNTLFSKLLYKEPLHTYIVYSFLEGSTWCEQGHKRSTLRTLVKEVINKYKIVPEADGWGWKENPVQSWNEFLTTNVMEAYENVRRYISEEEYRTVLKLANRDAGVNQPFLLHGDCGFHNFIFRENRLHGVIDPLPVLGEPLYDLIYAFCSTPEDLTKETIAYAMKQCLFHKKERDLYEEIVIGLYLRIDTCLRHHPKDLEEYLVAWRYWMDEINPAL
Complex: ADP_A_7(1J7L) / Model_22(1J7L/A) = [4.9] Download1047.6912.30MDISIIAAQLVKEKVISHNPNSVKALNGGTTSTVYLLDEKYVVKLNEAEVIREEAHFLSFYEGNTLFSKLLYKEPLHTYIVYSFLEGSTWCEQGHKRSTLRTLVKEVINKYKIVPEADGWGWKENPVQSWNEFLTTNVMEAYENVRRYISEEEYRTVLKLANRDAGVNQPFLLHGDCGFHNFIFRENRLHGVIDPLPVLGEPLYDLIYAFCSTPEDLTKETIAYAMKQCLFHKKERDLYEEIVIGLYLRIDTCLRHHPKDLEEYLVAWRYWMDEINPAL
Consensus
[pKd Mean = 4.38]
-869
(s=142)
18
(s=4)
MDISIIAAQLVKEKVISHNPNSVKALNGGTTSTVYLLDEKYVVKLNEAEVIREEAHFLSFYEGNTLFSKLLYKEPLHTYIVYSFLEGSTWCEQGHKRSTLRTLVKEVINKYKIVPEADGWGWKENPVQSWNEFLTTNVMEAYENVRRYISEEEYRTVLKLANRDAGVNQPFLLHGDCGFHNFIFRENRLHGVIDPLPVLGEPLYDLIYAFCSTPEDLTKETIAYAMKQCLFHKKERDLYEEIVIGLYLRIDTCLRHHPKDLEEYLVAWRYWMDEINPAL