Study : jhp_1088 (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: FMN_A_2(1D03) / Model_20(1D03/A) = [7.7] Download693.7415.10MGKIGIFFGTDSGNAEAIAEKISKAIGNAEVIDVAKASKEQFNGFTKVILVAPTAGAGDLQTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYEKAKAGKVVGQTPTDGYHFEASKAVEGGKFVGLVIDEDNQDDLTDERIAKWVEQVKGSFA
Complex: FMN_A_3(2W5U) / Model_2(2W5U/A) = [7.9] Download507.4719.24MGKIGIFFGTDSGNAEAIAEKISKAIGNAEVIDVAKASKEQFNGFTKVILVAPTAGAGDLQTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYEKAKAGKVVGQTPTDGYHFEASKAVEGGKFVGLVIDEDNQDDLTDERIAKWVEQVKGSFA
Complex: FMN_A_3(1CZO) / Model_19(1CZO/A) = [7.9] Download898.2715.10MGKIGIFFGTDSGNAEAIAEKISKAIGNAEVIDVAKASKEQFNGFTKVILVAPTAGAGDLQTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYEKAKAGKVVGQTPTDGYHFEASKAVEGGKFVGLVIDEDNQDDLTDERIAKWVEQVKGSFA
Complex: FMN_B_2(1FUE) / Model_3(1FUE/A) = [8.0] Download762.7314.48MGKIGIFFGTDSGNAEAIAEKISKAIGNAEVIDVAKASKEQFNGFTKVILVAPTAGAGDLQTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYEKAKAGKVVGQTPTDGYHFEASKAVEGGKFVGLVIDEDNQDDLTDERIAKWVEQVKGSFA
Complex: FMN_B_5(2W5U) / Model_21(2W5U/B) = [8.0] Download807.5718.36MGKIGIFFGTDSGNAEAIAEKISKAIGNAEVIDVAKASKEQFNGFTKVILVAPTAGAGDLQTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYEKAKAGKVVGQTPTDGYHFEASKAVEGGKFVGLVIDEDNQDDLTDERIAKWVEQVKGSFA
Consensus
[pKd Mean = 7.90]
-733
(s=131)
16
(s=1)
MGKIGIFFGTDSGNAEAIAEKISKAIGNAEVIDVAKASKEQFNGFTKVILVAPTAGAGDLQTDWEDFLGTLEASDFANKTIGLVGLGDQDTYSETFAEGIFHIYEKAKAGKVVGQTPTDGYHFEASKAVEGGKFVGLVIDEDNQDDLTDERIAKWVEQVKGSFA