Study : jhp_1290 (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: AGI_C_17(3CF9) / Model_63(3CF9/D) = [3.2] Download742.2320.00MEQSHQNLQSQFFIEHILQILPHRYPMLLVDRIIELQANQKIVAYKNITFNEDVFNGHFPNKPIFPGVLIVEGMAQTGGFLAFTSLWGFDPEIAKTKIVYFMTIDKVKFRIPVTPGDRLEYHLEVLKHKGMIWQVGGTAQVDGKVVAEAELKAMIAERE
Complex: AGI_A_13(3CF9) / Model_3(3CF9/A) = [3.3] Download1116.3819.92MEQSHQNLQSQFFIEHILQILPHRYPMLLVDRIIELQANQKIVAYKNITFNEDVFNGHFPNKPIFPGVLIVEGMAQTGGFLAFTSLWGFDPEIAKTKIVYFMTIDKVKFRIPVTPGDRLEYHLEVLKHKGMIWQVGGTAQVDGKVVAEAELKAMIAERE
Complex: QUE_C_20(3CF8) / Model_68(3CF8/D) = [3.3] Download863.3620.00MEQSHQNLQSQFFIEHILQILPHRYPMLLVDRIIELQANQKIVAYKNITFNEDVFNGHFPNKPIFPGVLIVEGMAQTGGFLAFTSLWGFDPEIAKTKIVYFMTIDKVKFRIPVTPGDRLEYHLEVLKHKGMIWQVGGTAQVDGKVVAEAELKAMIAERE
Complex: 2RB_C_12(3DP1) / Model_38(3DP1/D) = [3.3] Download148.7019.00MEQSHQNLQSQFFIEHILQILPHRYPMLLVDRIIELQANQKIVAYKNITFNEDVFNGHFPNKPIFPGVLIVEGMAQTGGFLAFTSLWGFDPEIAKTKIVYFMTIDKVKFRIPVTPGDRLEYHLEVLKHKGMIWQVGGTAQVDGKVVAEAELKAMIAERE
Complex: EMO_A_10(3ED0) / Model_11(3ED0/A) = [3.4] Download979.2325.85MEQSHQNLQSQFFIEHILQILPHRYPMLLVDRIIELQANQKIVAYKNITFNEDVFNGHFPNKPIFPGVLIVEGMAQTGGFLAFTSLWGFDPEIAKTKIVYFMTIDKVKFRIPVTPGDRLEYHLEVLKHKGMIWQVGGTAQVDGKVVAEAELKAMIAERE
Consensus
[pKd Mean = 3.30]
-769
(s=334)
20
(s=2)
MEQSHQNLQSQFFIEHILQILPHRYPMLLVDRIIELQANQKIVAYKNITFNEDVFNGHFPNKPIFPGVLIVEGMAQTGGFLAFTSLWGFDPEIAKTKIVYFMTIDKVKFRIPVTPGDRLEYHLEVLKHKGMIWQVGGTAQVDGKVVAEAELKAMIAERE