Study : bsu19020 (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(4E0V) / Model_9(4E0V/A) = [6.9] Download553.2530.94MNDDMVKIIRNGLSASQHPKHILVIGAGMSGLVSASLLKNAGHRVTILEASGRAGGRVCTLRSPFSDDLYFNAGPMRIPNNHSLTLEYIKKFKLPTNVFINRTPMDIIYANGIKTRLQVFERAPGILRYPVAPNEQGKTSEELMLSLLQPILNFINQNPARNWRIVEEQYKNHSLSSFLNTYFSYGAIDMIGVLLDMEAYMGMSLVEVLRESIFFSSPAHFYEITGGMDLLPHAFLPQLKTNILYHQKMMKMSQGENRVTIHCQHQQTAEFTSFTADLAIVTIPFSTLRFVKVEPYHSFSYYKRRAIRELNYISATKIGIEFKSRFWEKAGQHGGKSITDLPIRFSYYPSRNIGANGHAVILASYTWADEALIWDSLSEGERIQYTLLNLSEIYGDIVWSEFVSGTSFSWSQYPYSAGGFTAFEPGQELELYPYIPVPEGRVHFAGEHASLTHAWMQGAIESGIRVAYEVNRLP
Complex: FAD_B_4(4E0V) / Model_37(4E0V/B) = [7.6] Download501.2429.42MNDDMVKIIRNGLSASQHPKHILVIGAGMSGLVSASLLKNAGHRVTILEASGRAGGRVCTLRSPFSDDLYFNAGPMRIPNNHSLTLEYIKKFKLPTNVFINRTPMDIIYANGIKTRLQVFERAPGILRYPVAPNEQGKTSEELMLSLLQPILNFINQNPARNWRIVEEQYKNHSLSSFLNTYFSYGAIDMIGVLLDMEAYMGMSLVEVLRESIFFSSPAHFYEITGGMDLLPHAFLPQLKTNILYHQKMMKMSQGENRVTIHCQHQQTAEFTSFTADLAIVTIPFSTLRFVKVEPYHSFSYYKRRAIRELNYISATKIGIEFKSRFWEKAGQHGGKSITDLPIRFSYYPSRNIGANGHAVILASYTWADEALIWDSLSEGERIQYTLLNLSEIYGDIVWSEFVSGTSFSWSQYPYSAGGFTAFEPGQELELYPYIPVPEGRVHFAGEHASLTHAWMQGAIESGIRVAYEVNRLP
Complex: FAD_D_4(1TDN) / Model_3(1TDN/A) = [8.6] Download361.1233.06MNDDMVKIIRNGLSASQHPKHILVIGAGMSGLVSASLLKNAGHRVTILEASGRAGGRVCTLRSPFSDDLYFNAGPMRIPNNHSLTLEYIKKFKLPTNVFINRTPMDIIYANGIKTRLQVFERAPGILRYPVAPNEQGKTSEELMLSLLQPILNFINQNPARNWRIVEEQYKNHSLSSFLNTYFSYGAIDMIGVLLDMEAYMGMSLVEVLRESIFFSSPAHFYEITGGMDLLPHAFLPQLKTNILYHQKMMKMSQGENRVTIHCQHQQTAEFTSFTADLAIVTIPFSTLRFVKVEPYHSFSYYKRRAIRELNYISATKIGIEFKSRFWEKAGQHGGKSITDLPIRFSYYPSRNIGANGHAVILASYTWADEALIWDSLSEGERIQYTLLNLSEIYGDIVWSEFVSGTSFSWSQYPYSAGGFTAFEPGQELELYPYIPVPEGRVHFAGEHASLTHAWMQGAIESGIRVAYEVNRLP
Complex: FAD_D_4(1TDO) / Model_4(1TDO/A) = [10.6] Download343.3129.52MNDDMVKIIRNGLSASQHPKHILVIGAGMSGLVSASLLKNAGHRVTILEASGRAGGRVCTLRSPFSDDLYFNAGPMRIPNNHSLTLEYIKKFKLPTNVFINRTPMDIIYANGIKTRLQVFERAPGILRYPVAPNEQGKTSEELMLSLLQPILNFINQNPARNWRIVEEQYKNHSLSSFLNTYFSYGAIDMIGVLLDMEAYMGMSLVEVLRESIFFSSPAHFYEITGGMDLLPHAFLPQLKTNILYHQKMMKMSQGENRVTIHCQHQQTAEFTSFTADLAIVTIPFSTLRFVKVEPYHSFSYYKRRAIRELNYISATKIGIEFKSRFWEKAGQHGGKSITDLPIRFSYYPSRNIGANGHAVILASYTWADEALIWDSLSEGERIQYTLLNLSEIYGDIVWSEFVSGTSFSWSQYPYSAGGFTAFEPGQELELYPYIPVPEGRVHFAGEHASLTHAWMQGAIESGIRVAYEVNRLP
Complex: FAD_D_4(1TDK) / Model_2(1TDK/A) = [10.6] Download279.3219.43MNDDMVKIIRNGLSASQHPKHILVIGAGMSGLVSASLLKNAGHRVTILEASGRAGGRVCTLRSPFSDDLYFNAGPMRIPNNHSLTLEYIKKFKLPTNVFINRTPMDIIYANGIKTRLQVFERAPGILRYPVAPNEQGKTSEELMLSLLQPILNFINQNPARNWRIVEEQYKNHSLSSFLNTYFSYGAIDMIGVLLDMEAYMGMSLVEVLRESIFFSSPAHFYEITGGMDLLPHAFLPQLKTNILYHQKMMKMSQGENRVTIHCQHQQTAEFTSFTADLAIVTIPFSTLRFVKVEPYHSFSYYKRRAIRELNYISATKIGIEFKSRFWEKAGQHGGKSITDLPIRFSYYPSRNIGANGHAVILASYTWADEALIWDSLSEGERIQYTLLNLSEIYGDIVWSEFVSGTSFSWSQYPYSAGGFTAFEPGQELELYPYIPVPEGRVHFAGEHASLTHAWMQGAIESGIRVAYEVNRLP
Consensus
[pKd Mean = 8.86]
-407
(s=102)
28
(s=4)
MNDDMVKIIRNGLSASQHPKHILVIGAGMSGLVSASLLKNAGHRVTILEASGRAGGRVCTLRSPFSDDLYFNAGPMRIPNNHSLTLEYIKKFKLPTNVFINRTPMDIIYANGIKTRLQVFERAPGILRYPVAPNEQGKTSEELMLSLLQPILNFINQNPARNWRIVEEQYKNHSLSSFLNTYFSYGAIDMIGVLLDMEAYMGMSLVEVLRESIFFSSPAHFYEITGGMDLLPHAFLPQLKTNILYHQKMMKMSQGENRVTIHCQHQQTAEFTSFTADLAIVTIPFSTLRFVKVEPYHSFSYYKRRAIRELNYISATKIGIEFKSRFWEKAGQHGGKSITDLPIRFSYYPSRNIGANGHAVILASYTWADEALIWDSLSEGERIQYTLLNLSEIYGDIVWSEFVSGTSFSWSQYPYSAGGFTAFEPGQELELYPYIPVPEGRVHFAGEHASLTHAWMQGAIESGIRVAYEVNRLP