Study : Wbm0177 (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: NAD_C_10(1ARZ) / Model_25(1ARZ/C) = [6.3] Download2107.6111.43MKIKVGVIGCSGRMGKRILNELITNTQVEIAGAVARLGSKYIGSDIGSAVYHSSNLGIKVTSSISDVFESSDVVIDFTTKECMLACLKAAMKFKTPLVSGTTGIESINLKKYAAKIPILWSANMSVGVNVLLKLVKKAAEFLDNEYDVEIWEMHHNLKKDSPSGTAMEFGKAIANALKVDFQPYQHSHNSSNIREKGKIGFAVSRGGGVVGDHSVMFINSDERIELNHKAIDRTTFARGAVRAAIWLYENKRETPGLYSMQDVI
Complex: NAD_D_12(1ARZ) / Model_24(1ARZ/D) = [6.4] Download1728.9516.36MKIKVGVIGCSGRMGKRILNELITNTQVEIAGAVARLGSKYIGSDIGSAVYHSSNLGIKVTSSISDVFESSDVVIDFTTKECMLACLKAAMKFKTPLVSGTTGIESINLKKYAAKIPILWSANMSVGVNVLLKLVKKAAEFLDNEYDVEIWEMHHNLKKDSPSGTAMEFGKAIANALKVDFQPYQHSHNSSNIREKGKIGFAVSRGGGVVGDHSVMFINSDERIELNHKAIDRTTFARGAVRAAIWLYENKRETPGLYSMQDVI
Complex: A3D_E_5(1DRV) / Model_7(1DRV/A) = [7.3] Download1718.1111.93MKIKVGVIGCSGRMGKRILNELITNTQVEIAGAVARLGSKYIGSDIGSAVYHSSNLGIKVTSSISDVFESSDVVIDFTTKECMLACLKAAMKFKTPLVSGTTGIESINLKKYAAKIPILWSANMSVGVNVLLKLVKKAAEFLDNEYDVEIWEMHHNLKKDSPSGTAMEFGKAIANALKVDFQPYQHSHNSSNIREKGKIGFAVSRGGGVVGDHSVMFINSDERIELNHKAIDRTTFARGAVRAAIWLYENKRETPGLYSMQDVI
Complex: NAD_B_8(1ARZ) / Model_26(1ARZ/B) = [7.3] Download2133.7912.50MKIKVGVIGCSGRMGKRILNELITNTQVEIAGAVARLGSKYIGSDIGSAVYHSSNLGIKVTSSISDVFESSDVVIDFTTKECMLACLKAAMKFKTPLVSGTTGIESINLKKYAAKIPILWSANMSVGVNVLLKLVKKAAEFLDNEYDVEIWEMHHNLKKDSPSGTAMEFGKAIANALKVDFQPYQHSHNSSNIREKGKIGFAVSRGGGVVGDHSVMFINSDERIELNHKAIDRTTFARGAVRAAIWLYENKRETPGLYSMQDVI
Complex: NAD_E_5(1DRU) / Model_6(1DRU/A) = [7.4] Download1807.829.43MKIKVGVIGCSGRMGKRILNELITNTQVEIAGAVARLGSKYIGSDIGSAVYHSSNLGIKVTSSISDVFESSDVVIDFTTKECMLACLKAAMKFKTPLVSGTTGIESINLKKYAAKIPILWSANMSVGVNVLLKLVKKAAEFLDNEYDVEIWEMHHNLKKDSPSGTAMEFGKAIANALKVDFQPYQHSHNSSNIREKGKIGFAVSRGGGVVGDHSVMFINSDERIELNHKAIDRTTFARGAVRAAIWLYENKRETPGLYSMQDVI
Consensus
[pKd Mean = 6.94]
-1899
(s=183)
12
(s=2)
MKIKVGVIGCSGRMGKRILNELITNTQVEIAGAVARLGSKYIGSDIGSAVYHSSNLGIKVTSSISDVFESSDVVIDFTTKECMLACLKAAMKFKTPLVSGTTGIESINLKKYAAKIPILWSANMSVGVNVLLKLVKKAAEFLDNEYDVEIWEMHHNLKKDSPSGTAMEFGKAIANALKVDFQPYQHSHNSSNIREKGKIGFAVSRGGGVVGDHSVMFINSDERIELNHKAIDRTTFARGAVRAAIWLYENKRETPGLYSMQDVI