Study : bsu00680 (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: PRP_A_9(1I13) / Model_84(1I13/A) = [3.1] Download1238.7018.56MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTYLEMDFMDVSSYGNSTVSSGEVKIIKDLDTSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
Complex: 5GP_B_10(4RHT) / Model_61(4RHT/B) = [3.1] Download1045.5627.13MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTYLEMDFMDVSSYGNSTVSSGEVKIIKDLDTSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
Complex: N_F_6(1G9S) / Model_38(1G9S/B) = [3.1] Download--MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTYLEMDFMDVSSYGNSTVSSGEVKIIKDLDTSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
Complex: N_F_6(1G9T) / Model_37(1G9T/B) = [3.2] Download--MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTYLEMDFMDVSSYGNSTVSSGEVKIIKDLDTSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
Complex: FMB_C_3(1TC1) / Model_70(1TC1/A) = [3.2] Download547.0331.50MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTYLEMDFMDVSSYGNSTVSSGEVKIIKDLDTSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES
Consensus
[pKd Mean = 3.14]
-943
(s=291)
25
(s=5)
MMKHDIEKVLISEEEIQKKVKELGAELTSEYQDTFPLAIGVLKGALPFMADLIKHIDTYLEMDFMDVSSYGNSTVSSGEVKIIKDLDTSVEGRDILIIEDIIDSGLTLSYLVELFRYRKAKSIKIVTLLDKPSGRKADIKADFVGFEVPDAFVVGYGLDYAERYRNLPYIGVLKPAVYES