Study : Rv2321c (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: PLP_B_8(1MLZ) / Model_74(1MLZ/B) = [3.1] Download672.4625.89MIADEIQSGLACTGYPFACDHGGVLPDIYLLGKTLGGGAVPLSAMVADREIFGVVHPGEHGSTFGGNPLAAAIGTPVVSMVVWGECQARSAKLGAHLHQRLADLIGDGAVALRGLGWWADVDIERALAIGTDMSMRLADRGVLLKDTYGAALRFAPPLVITAQEIDCAVRRFADALWEAGS
Complex: PLP_B_6(1MGV) / Model_93(1MGV/B) = [3.1] Download735.3325.89MIADEIQSGLACTGYPFACDHGGVLPDIYLLGKTLGGGAVPLSAMVADREIFGVVHPGEHGSTFGGNPLAAAIGTPVVSMVVWGECQARSAKLGAHLHQRLADLIGDGAVALRGLGWWADVDIERALAIGTDMSMRLADRGVLLKDTYGAALRFAPPLVITAQEIDCAVRRFADALWEAGS
Complex: PLP_A_3(1VEF) / Model_19(1VEF/A) = [3.1] Download971.5427.17MIADEIQSGLACTGYPFACDHGGVLPDIYLLGKTLGGGAVPLSAMVADREIFGVVHPGEHGSTFGGNPLAAAIGTPVVSMVVWGECQARSAKLGAHLHQRLADLIGDGAVALRGLGWWADVDIERALAIGTDMSMRLADRGVLLKDTYGAALRFAPPLVITAQEIDCAVRRFADALWEAGS
Complex: PLP_B_6(2BYL) / Model_40(2BYL/B) = [3.2] Download736.8629.60MIADEIQSGLACTGYPFACDHGGVLPDIYLLGKTLGGGAVPLSAMVADREIFGVVHPGEHGSTFGGNPLAAAIGTPVVSMVVWGECQARSAKLGAHLHQRLADLIGDGAVALRGLGWWADVDIERALAIGTDMSMRLADRGVLLKDTYGAALRFAPPLVITAQEIDCAVRRFADALWEAGS
Complex: PLP_B_4(1VEF) / Model_51(1VEF/B) = [3.2] Download890.2627.17MIADEIQSGLACTGYPFACDHGGVLPDIYLLGKTLGGGAVPLSAMVADREIFGVVHPGEHGSTFGGNPLAAAIGTPVVSMVVWGECQARSAKLGAHLHQRLADLIGDGAVALRGLGWWADVDIERALAIGTDMSMRLADRGVLLKDTYGAALRFAPPLVITAQEIDCAVRRFADALWEAGS
Consensus
[pKd Mean = 3.14]
-801
(s=111)
27
(s=1)
MIADEIQSGLACTGYPFACDHGGVLPDIYLLGKTLGGGAVPLSAMVADREIFGVVHPGEHGSTFGGNPLAAAIGTPVVSMVVWGECQARSAKLGAHLHQRLADLIGDGAVALRGLGWWADVDIERALAIGTDMSMRLADRGVLLKDTYGAALRFAPPLVITAQEIDCAVRRFADALWEAGS