Study : Wbm0179 (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: CBQ_B_7(1T1S) / Model_37(1T1S/B) = [3.1] Download901.720.48MKKISVLGSTGSIGKKTVDLLLKRKEEYQVEALSTCSNFALLACQAKLLNARYVAISNKRFYKDLKESLLGTGIKVEVGTEGLMNVASLPVDLSVVAVVGIAGLEPVMHVIESGTKVIALANKESIVCGGKLLLKKTEEKNVQIVPIDSEHNAIFQVLQNGNKCVEKIILTASGGSFLNYSLEQLRNVTVGQALSHPTWNMGKKISVDSATMMNKALEIIEAHNLFNISPNRIEAIVHPESIIHGIVIYKDGFNFAVLAEADMAIPISYALSWPERSALSYKLDLTKQKLTFQEPDHKRFPALKLSMEVLNSSSPHTNSIVLNAANEVAVDKFLKSRIDFLEIIKVVKLTVENFDSYTDINSLSDIINIDLESRAIAKEIIKNKVLAYS
Complex: FOM_B_6(1ONP) / Model_30(1ONP/B) = [3.1] Download474.219.10MKKISVLGSTGSIGKKTVDLLLKRKEEYQVEALSTCSNFALLACQAKLLNARYVAISNKRFYKDLKESLLGTGIKVEVGTEGLMNVASLPVDLSVVAVVGIAGLEPVMHVIESGTKVIALANKESIVCGGKLLLKKTEEKNVQIVPIDSEHNAIFQVLQNGNKCVEKIILTASGGSFLNYSLEQLRNVTVGQALSHPTWNMGKKISVDSATMMNKALEIIEAHNLFNISPNRIEAIVHPESIIHGIVIYKDGFNFAVLAEADMAIPISYALSWPERSALSYKLDLTKQKLTFQEPDHKRFPALKLSMEVLNSSSPHTNSIVLNAANEVAVDKFLKSRIDFLEIIKVVKLTVENFDSYTDINSLSDIINIDLESRAIAKEIIKNKVLAYS
Complex: IMB_F_6(1T1R) / Model_16(1T1R/A) = [3.3] Download872.59-0.92MKKISVLGSTGSIGKKTVDLLLKRKEEYQVEALSTCSNFALLACQAKLLNARYVAISNKRFYKDLKESLLGTGIKVEVGTEGLMNVASLPVDLSVVAVVGIAGLEPVMHVIESGTKVIALANKESIVCGGKLLLKKTEEKNVQIVPIDSEHNAIFQVLQNGNKCVEKIILTASGGSFLNYSLEQLRNVTVGQALSHPTWNMGKKISVDSATMMNKALEIIEAHNLFNISPNRIEAIVHPESIIHGIVIYKDGFNFAVLAEADMAIPISYALSWPERSALSYKLDLTKQKLTFQEPDHKRFPALKLSMEVLNSSSPHTNSIVLNAANEVAVDKFLKSRIDFLEIIKVVKLTVENFDSYTDINSLSDIINIDLESRAIAKEIIKNKVLAYS
Complex: C0K_B_6(3R0I) / Model_28(3R0I/B) = [3.6] Download1226.826.50MKKISVLGSTGSIGKKTVDLLLKRKEEYQVEALSTCSNFALLACQAKLLNARYVAISNKRFYKDLKESLLGTGIKVEVGTEGLMNVASLPVDLSVVAVVGIAGLEPVMHVIESGTKVIALANKESIVCGGKLLLKKTEEKNVQIVPIDSEHNAIFQVLQNGNKCVEKIILTASGGSFLNYSLEQLRNVTVGQALSHPTWNMGKKISVDSATMMNKALEIIEAHNLFNISPNRIEAIVHPESIIHGIVIYKDGFNFAVLAEADMAIPISYALSWPERSALSYKLDLTKQKLTFQEPDHKRFPALKLSMEVLNSSSPHTNSIVLNAANEVAVDKFLKSRIDFLEIIKVVKLTVENFDSYTDINSLSDIINIDLESRAIAKEIIKNKVLAYS
Complex: FOM_B_6(2EGH) / Model_36(2EGH/B) = [3.6] Download498.1110.90MKKISVLGSTGSIGKKTVDLLLKRKEEYQVEALSTCSNFALLACQAKLLNARYVAISNKRFYKDLKESLLGTGIKVEVGTEGLMNVASLPVDLSVVAVVGIAGLEPVMHVIESGTKVIALANKESIVCGGKLLLKKTEEKNVQIVPIDSEHNAIFQVLQNGNKCVEKIILTASGGSFLNYSLEQLRNVTVGQALSHPTWNMGKKISVDSATMMNKALEIIEAHNLFNISPNRIEAIVHPESIIHGIVIYKDGFNFAVLAEADMAIPISYALSWPERSALSYKLDLTKQKLTFQEPDHKRFPALKLSMEVLNSSSPHTNSIVLNAANEVAVDKFLKSRIDFLEIIKVVKLTVENFDSYTDINSLSDIINIDLESRAIAKEIIKNKVLAYS
Consensus
[pKd Mean = 3.34]
-794
(s=281)
5
(s=4)
MKKISVLGSTGSIGKKTVDLLLKRKEEYQVEALSTCSNFALLACQAKLLNARYVAISNKRFYKDLKESLLGTGIKVEVGTEGLMNVASLPVDLSVVAVVGIAGLEPVMHVIESGTKVIALANKESIVCGGKLLLKKTEEKNVQIVPIDSEHNAIFQVLQNGNKCVEKIILTASGGSFLNYSLEQLRNVTVGQALSHPTWNMGKKISVDSATMMNKALEIIEAHNLFNISPNRIEAIVHPESIIHGIVIYKDGFNFAVLAEADMAIPISYALSWPERSALSYKLDLTKQKLTFQEPDHKRFPALKLSMEVLNSSSPHTNSIVLNAANEVAVDKFLKSRIDFLEIIKVVKLTVENFDSYTDINSLSDIINIDLESRAIAKEIIKNKVLAYS