Study : jhp_1075 (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: EDO_A_3(3QUV) / Model_31(3QUV/A) = [3.2] Download180.3518.50MKFSVLTLFPQLILPYFEDSILKRALEKNLFELEVLNLRDFSANKYQKADHTLIGGGAGQILDPEMIENALHSVKNPKHTIFLSAVGKPFKQIDAMRLAQKKHVVLVCGRYEGFDERSIELGADEVFCIGDFILTGGELGALCLIDSIARHIQGVLGNAQSLENESFENNYLETPNFANAVFKSKEINKIPAPLEYSKGNHAKIKQLKLDLSKLRTKFYRLDLFKQHKS
Complex: EDO_A_3(3QUV) / Model_20(3QUV/A) = [3.2] Download265.6115.50MKFSVLTLFPQLILPYFEDSILKRALEKNLFELEVLNLRDFSANKYQKADHTLIGGGAGQILDPEMIENALHSVKNPKHTIFLSAVGKPFKQIDAMRLAQKKHVVLVCGRYEGFDERSIELGADEVFCIGDFILTGGELGALCLIDSIARHIQGVLGNAQSLENESFENNYLETPNFANAVFKSKEINKIPAPLEYSKGNHAKIKQLKLDLSKLRTKFYRLDLFKQHKS
Complex: 22L_A_2(4MCD) / Model_4(4MCD/A) = [4.8] Download554.1714.75MKFSVLTLFPQLILPYFEDSILKRALEKNLFELEVLNLRDFSANKYQKADHTLIGGGAGQILDPEMIENALHSVKNPKHTIFLSAVGKPFKQIDAMRLAQKKHVVLVCGRYEGFDERSIELGADEVFCIGDFILTGGELGALCLIDSIARHIQGVLGNAQSLENESFENNYLETPNFANAVFKSKEINKIPAPLEYSKGNHAKIKQLKLDLSKLRTKFYRLDLFKQHKS
Complex: SFG_B_5(4YVJ) / Model_24(4YVJ/B) = [5.0] Download651.0816.08MKFSVLTLFPQLILPYFEDSILKRALEKNLFELEVLNLRDFSANKYQKADHTLIGGGAGQILDPEMIENALHSVKNPKHTIFLSAVGKPFKQIDAMRLAQKKHVVLVCGRYEGFDERSIELGADEVFCIGDFILTGGELGALCLIDSIARHIQGVLGNAQSLENESFENNYLETPNFANAVFKSKEINKIPAPLEYSKGNHAKIKQLKLDLSKLRTKFYRLDLFKQHKS
Complex: 21X_A_3(4MCC) / Model_3(4MCC/A) = [5.1] Download711.4718.67MKFSVLTLFPQLILPYFEDSILKRALEKNLFELEVLNLRDFSANKYQKADHTLIGGGAGQILDPEMIENALHSVKNPKHTIFLSAVGKPFKQIDAMRLAQKKHVVLVCGRYEGFDERSIELGADEVFCIGDFILTGGELGALCLIDSIARHIQGVLGNAQSLENESFENNYLETPNFANAVFKSKEINKIPAPLEYSKGNHAKIKQLKLDLSKLRTKFYRLDLFKQHKS
Consensus
[pKd Mean = 4.26]
-472
(s=211)
16
(s=1)
MKFSVLTLFPQLILPYFEDSILKRALEKNLFELEVLNLRDFSANKYQKADHTLIGGGAGQILDPEMIENALHSVKNPKHTIFLSAVGKPFKQIDAMRLAQKKHVVLVCGRYEGFDERSIELGADEVFCIGDFILTGGELGALCLIDSIARHIQGVLGNAQSLENESFENNYLETPNFANAVFKSKEINKIPAPLEYSKGNHAKIKQLKLDLSKLRTKFYRLDLFKQHKS