Study : SA1576 (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: FAD_A_3(2I0Z) / Model_85(2I0Z/A) = [13.3] Download529.4011.55MYQTIIIGGGPSGLMAAVAASEQSSSVLLIEKKKGLGRKLKISGGGRCNVTNRLPYAEIIKNIPGNGKFLYSPFSIFDNESIIDFFESRGVKLKEEDHGRMFPVSNKAQDVVDTLVTTIERQHVTIKEEEAVSRIEVNTDQTFTVHTQNNSYESHSLVIATGGTSVPQTGSTGDGYKFAQDLGHTITELFPTEVPITSAEPFIKSNRLKGLSLKDVELSVLKKNGKKRISHQMDMLFTHFGISGPAALRCSQFVYKEQKNQKTQHISMAIDAFPELNHEQLKQHITSLLSDTPDKIIKNSLHGLIEERYLLFMLEQAGIDENTTSHHLSNQQLNDLVNMFKGFVFKVNGTLPIDKAFVTGGGVSLKEIQPKTMMSKLVPGLFLCGEVLDIHGYTGGYNITSALVTGHVAGLYAGHYSHTSME
Complex: FAD_A_3(2I0Z) / Model_1(2I0Z/A) = [13.3] Download477.3811.55MYQTIIIGGGPSGLMAAVAASEQSSSVLLIEKKKGLGRKLKISGGGRCNVTNRLPYAEIIKNIPGNGKFLYSPFSIFDNESIIDFFESRGVKLKEEDHGRMFPVSNKAQDVVDTLVTTIERQHVTIKEEEAVSRIEVNTDQTFTVHTQNNSYESHSLVIATGGTSVPQTGSTGDGYKFAQDLGHTITELFPTEVPITSAEPFIKSNRLKGLSLKDVELSVLKKNGKKRISHQMDMLFTHFGISGPAALRCSQFVYKEQKNQKTQHISMAIDAFPELNHEQLKQHITSLLSDTPDKIIKNSLHGLIEERYLLFMLEQAGIDENTTSHHLSNQQLNDLVNMFKGFVFKVNGTLPIDKAFVTGGGVSLKEIQPKTMMSKLVPGLFLCGEVLDIHGYTGGYNITSALVTGHVAGLYAGHYSHTSME
Complex: FAD_A_3(2I0Z) / Model_104(2I0Z/A) = [13.3] Download432.9111.55MYQTIIIGGGPSGLMAAVAASEQSSSVLLIEKKKGLGRKLKISGGGRCNVTNRLPYAEIIKNIPGNGKFLYSPFSIFDNESIIDFFESRGVKLKEEDHGRMFPVSNKAQDVVDTLVTTIERQHVTIKEEEAVSRIEVNTDQTFTVHTQNNSYESHSLVIATGGTSVPQTGSTGDGYKFAQDLGHTITELFPTEVPITSAEPFIKSNRLKGLSLKDVELSVLKKNGKKRISHQMDMLFTHFGISGPAALRCSQFVYKEQKNQKTQHISMAIDAFPELNHEQLKQHITSLLSDTPDKIIKNSLHGLIEERYLLFMLEQAGIDENTTSHHLSNQQLNDLVNMFKGFVFKVNGTLPIDKAFVTGGGVSLKEIQPKTMMSKLVPGLFLCGEVLDIHGYTGGYNITSALVTGHVAGLYAGHYSHTSME
Complex: FAD_B_14(4CNK) / Model_21(4CNK/B) = [13.4] Download321.3310.45MYQTIIIGGGPSGLMAAVAASEQSSSVLLIEKKKGLGRKLKISGGGRCNVTNRLPYAEIIKNIPGNGKFLYSPFSIFDNESIIDFFESRGVKLKEEDHGRMFPVSNKAQDVVDTLVTTIERQHVTIKEEEAVSRIEVNTDQTFTVHTQNNSYESHSLVIATGGTSVPQTGSTGDGYKFAQDLGHTITELFPTEVPITSAEPFIKSNRLKGLSLKDVELSVLKKNGKKRISHQMDMLFTHFGISGPAALRCSQFVYKEQKNQKTQHISMAIDAFPELNHEQLKQHITSLLSDTPDKIIKNSLHGLIEERYLLFMLEQAGIDENTTSHHLSNQQLNDLVNMFKGFVFKVNGTLPIDKAFVTGGGVSLKEIQPKTMMSKLVPGLFLCGEVLDIHGYTGGYNITSALVTGHVAGLYAGHYSHTSME
Complex: FAD_A_3(4CNK) / Model_3(4CNK/A) = [13.4] Download368.918.16MYQTIIIGGGPSGLMAAVAASEQSSSVLLIEKKKGLGRKLKISGGGRCNVTNRLPYAEIIKNIPGNGKFLYSPFSIFDNESIIDFFESRGVKLKEEDHGRMFPVSNKAQDVVDTLVTTIERQHVTIKEEEAVSRIEVNTDQTFTVHTQNNSYESHSLVIATGGTSVPQTGSTGDGYKFAQDLGHTITELFPTEVPITSAEPFIKSNRLKGLSLKDVELSVLKKNGKKRISHQMDMLFTHFGISGPAALRCSQFVYKEQKNQKTQHISMAIDAFPELNHEQLKQHITSLLSDTPDKIIKNSLHGLIEERYLLFMLEQAGIDENTTSHHLSNQQLNDLVNMFKGFVFKVNGTLPIDKAFVTGGGVSLKEIQPKTMMSKLVPGLFLCGEVLDIHGYTGGYNITSALVTGHVAGLYAGHYSHTSME
Consensus
[pKd Mean = 13.34]		-425
(s=74)		10
(s=1)		MYQTIIIGGGPSGLMAAVAASEQSSSVLLIEKKKGLGRKLKISGGGRCNVTNRLPYAEIIKNIPGNGKFLYSPFSIFDNESIIDFFESRGVKLKEEDHGRMFPVSNKAQDVVDTLVTTIERQHVTIKEEEAVSRIEVNTDQTFTVHTQNNSYESHSLVIATGGTSVPQTGSTGDGYKFAQDLGHTITELFPTEVPITSAEPFIKSNRLKGLSLKDVELSVLKKNGKKRISHQMDMLFTHFGISGPAALRCSQFVYKEQKNQKTQHISMAIDAFPELNHEQLKQHITSLLSDTPDKIIKNSLHGLIEERYLLFMLEQAGIDENTTSHHLSNQQLNDLVNMFKGFVFKVNGTLPIDKAFVTGGGVSLKEIQPKTMMSKLVPGLFLCGEVLDIHGYTGGYNITSALVTGHVAGLYAGHYSHTSME