Study : jhp_1489 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C10_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 C10_S1
Complex: PXP_U_21(1HO4) / Model_34(1HO4/B) = [3.1] Download545.08-5.00MRFGLNIDHIVTLREVRKTYEPEILEALFIAKNTHKVDLITIHLREDKRHIQNEDVLRLLEISPLPINIECSINAEITDFLCSLKNKPSKVTIVPENRNEVTTEGGLDCSLKGLEEVIRAYHNKGIEVSLFVDPLKDALHFAKEHQVKQVEFHTGVYANLHNALYSNANNQIHAISTLKDKCPKELKEELHNAFLQLRRMSKEAFFMGIVVCAGHGLNYSNVKELLKIPSLRELNIGHSVVSKAVLVGLEKAILEMAQLIKR
Complex: G3P_I_9(1IXO) / Model_6(1IXO/A) = [3.3] Download417.28-6.44MRFGLNIDHIVTLREVRKTYEPEILEALFIAKNTHKVDLITIHLREDKRHIQNEDVLRLLEISPLPINIECSINAEITDFLCSLKNKPSKVTIVPENRNEVTTEGGLDCSLKGLEEVIRAYHNKGIEVSLFVDPLKDALHFAKEHQVKQVEFHTGVYANLHNALYSNANNQIHAISTLKDKCPKELKEELHNAFLQLRRMSKEAFFMGIVVCAGHGLNYSNVKELLKIPSLRELNIGHSVVSKAVLVGLEKAILEMAQLIKR
Complex: DXP_I_9(1IXN) / Model_5(1IXN/A) = [3.6] Download376.24-6.05MRFGLNIDHIVTLREVRKTYEPEILEALFIAKNTHKVDLITIHLREDKRHIQNEDVLRLLEISPLPINIECSINAEITDFLCSLKNKPSKVTIVPENRNEVTTEGGLDCSLKGLEEVIRAYHNKGIEVSLFVDPLKDALHFAKEHQVKQVEFHTGVYANLHNALYSNANNQIHAISTLKDKCPKELKEELHNAFLQLRRMSKEAFFMGIVVCAGHGLNYSNVKELLKIPSLRELNIGHSVVSKAVLVGLEKAILEMAQLIKR
Complex: G3P_Q_17(1IXO) / Model_27(1IXO/C) = [3.7] Download518.03-15.50MRFGLNIDHIVTLREVRKTYEPEILEALFIAKNTHKVDLITIHLREDKRHIQNEDVLRLLEISPLPINIECSINAEITDFLCSLKNKPSKVTIVPENRNEVTTEGGLDCSLKGLEEVIRAYHNKGIEVSLFVDPLKDALHFAKEHQVKQVEFHTGVYANLHNALYSNANNQIHAISTLKDKCPKELKEELHNAFLQLRRMSKEAFFMGIVVCAGHGLNYSNVKELLKIPSLRELNIGHSVVSKAVLVGLEKAILEMAQLIKR
Complex: PXP_A_2(3O6D) / Model_2(3O6D/A) = [3.9] Download713.98-3.10MRFGLNIDHIVTLREVRKTYEPEILEALFIAKNTHKVDLITIHLREDKRHIQNEDVLRLLEISPLPINIECSINAEITDFLCSLKNKPSKVTIVPENRNEVTTEGGLDCSLKGLEEVIRAYHNKGIEVSLFVDPLKDALHFAKEHQVKQVEFHTGVYANLHNALYSNANNQIHAISTLKDKCPKELKEELHNAFLQLRRMSKEAFFMGIVVCAGHGLNYSNVKELLKIPSLRELNIGHSVVSKAVLVGLEKAILEMAQLIKR
Consensus
[pKd Mean = 3.52]
-514
(s=117)
-7
(s=4)
MRFGLNIDHIVTLREVRKTYEPEILEALFIAKNTHKVDLITIHLREDKRHIQNEDVLRLLEISPLPINIECSINAEITDFLCSLKNKPSKVTIVPENRNEVTTEGGLDCSLKGLEEVIRAYHNKGIEVSLFVDPLKDALHFAKEHQVKQVEFHTGVYANLHNALYSNANNQIHAISTLKDKCPKELKEELHNAFLQLRRMSKEAFFMGIVVCAGHGLNYSNVKELLKIPSLRELNIGHSVVSKAVLVGLEKAILEMAQLIKR