Study : bsu15540 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ORO_A_3(4OQV) / Model_8(4OQV/A) = [3.6] Download707.479.81MLEVKLPGLDLKNPIIPASGCFGFGKEFSRFYDLSCLGAIMIKATTKEPRFGNPTPRVAETGAGMLNAIGLQNPGLDSVLHHELPWLEQFDTPIIANVAGSQVDDYVEVAEHISKAPNVHALELNISCPNVKTGGIAFGTNPEMAADLTKAVKEVSDVPVYVKLSPNVANITEIALAIEEAGADGLTMINTLIGMRLDLKTGKPILANKTGGLSGPAVKPVAIRMVYEVSQMVNIPIIGMGGVQTAEDALEFLLAGASAVAVGTANFVNPFACPEIIEQLPSVLLQYGYQSIEECIGRSWNHEKQPAHHRA
Complex: ORO_A_4(2DOR) / Model_10(2DOR/A) = [3.7] Download554.4614.58MLEVKLPGLDLKNPIIPASGCFGFGKEFSRFYDLSCLGAIMIKATTKEPRFGNPTPRVAETGAGMLNAIGLQNPGLDSVLHHELPWLEQFDTPIIANVAGSQVDDYVEVAEHISKAPNVHALELNISCPNVKTGGIAFGTNPEMAADLTKAVKEVSDVPVYVKLSPNVANITEIALAIEEAGADGLTMINTLIGMRLDLKTGKPILANKTGGLSGPAVKPVAIRMVYEVSQMVNIPIIGMGGVQTAEDALEFLLAGASAVAVGTANFVNPFACPEIIEQLPSVLLQYGYQSIEECIGRSWNHEKQPAHHRA
Complex: ORO_A_7(1OVD) / Model_15(1OVD/A) = [3.7] Download555.0213.05MLEVKLPGLDLKNPIIPASGCFGFGKEFSRFYDLSCLGAIMIKATTKEPRFGNPTPRVAETGAGMLNAIGLQNPGLDSVLHHELPWLEQFDTPIIANVAGSQVDDYVEVAEHISKAPNVHALELNISCPNVKTGGIAFGTNPEMAADLTKAVKEVSDVPVYVKLSPNVANITEIALAIEEAGADGLTMINTLIGMRLDLKTGKPILANKTGGLSGPAVKPVAIRMVYEVSQMVNIPIIGMGGVQTAEDALEFLLAGASAVAVGTANFVNPFACPEIIEQLPSVLLQYGYQSIEECIGRSWNHEKQPAHHRA
Complex: ORO_A_3(4JGD) / Model_20(4JGD/A) = [3.8] Download325.1611.31MLEVKLPGLDLKNPIIPASGCFGFGKEFSRFYDLSCLGAIMIKATTKEPRFGNPTPRVAETGAGMLNAIGLQNPGLDSVLHHELPWLEQFDTPIIANVAGSQVDDYVEVAEHISKAPNVHALELNISCPNVKTGGIAFGTNPEMAADLTKAVKEVSDVPVYVKLSPNVANITEIALAIEEAGADGLTMINTLIGMRLDLKTGKPILANKTGGLSGPAVKPVAIRMVYEVSQMVNIPIIGMGGVQTAEDALEFLLAGASAVAVGTANFVNPFACPEIIEQLPSVLLQYGYQSIEECIGRSWNHEKQPAHHRA
Complex: DOR_A_4(3KVJ) / Model_16(3KVJ/A) = [4.1] Download364.6311.31MLEVKLPGLDLKNPIIPASGCFGFGKEFSRFYDLSCLGAIMIKATTKEPRFGNPTPRVAETGAGMLNAIGLQNPGLDSVLHHELPWLEQFDTPIIANVAGSQVDDYVEVAEHISKAPNVHALELNISCPNVKTGGIAFGTNPEMAADLTKAVKEVSDVPVYVKLSPNVANITEIALAIEEAGADGLTMINTLIGMRLDLKTGKPILANKTGGLSGPAVKPVAIRMVYEVSQMVNIPIIGMGGVQTAEDALEFLLAGASAVAVGTANFVNPFACPEIIEQLPSVLLQYGYQSIEECIGRSWNHEKQPAHHRA
Consensus
[pKd Mean = 3.78]
-501
(s=139)
12
(s=1)
MLEVKLPGLDLKNPIIPASGCFGFGKEFSRFYDLSCLGAIMIKATTKEPRFGNPTPRVAETGAGMLNAIGLQNPGLDSVLHHELPWLEQFDTPIIANVAGSQVDDYVEVAEHISKAPNVHALELNISCPNVKTGGIAFGTNPEMAADLTKAVKEVSDVPVYVKLSPNVANITEIALAIEEAGADGLTMINTLIGMRLDLKTGKPILANKTGGLSGPAVKPVAIRMVYEVSQMVNIPIIGMGGVQTAEDALEFLLAGASAVAVGTANFVNPFACPEIIEQLPSVLLQYGYQSIEECIGRSWNHEKQPAHHRA