Study : jhp_0981 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: F3S_A_3(3F7T) / Model_4(3F7T/A) = [3.3] Download282.1313.65MEIKMAKDYGFCFGVKRAIQIAEKNQNSLIFGSLIHNAKEINRLEKNFNVKIEEDPKKIPKNKSVIIRTHGIPKQDLEYLKNKGVKITDATCPYVIKPQQIVESMSKEGYQIVLFGDINHPEVKGVISYATNQALVVNSLEELQEKKLQRKVALVSQTTKQTPKLLQIASYLVERCTEVRIFNTICNATSYNQKAALDLSKEVDIMIVVGGKTSSNTKQLLSIAKQHCKDSYLVEDENELELAWFKDKKLCGITAGASTPDWIIENVKQKISTI
Complex: SF4_A_4(3ZGN) / Model_3(3ZGN/A) = [3.6] Download247.2915.44MEIKMAKDYGFCFGVKRAIQIAEKNQNSLIFGSLIHNAKEINRLEKNFNVKIEEDPKKIPKNKSVIIRTHGIPKQDLEYLKNKGVKITDATCPYVIKPQQIVESMSKEGYQIVLFGDINHPEVKGVISYATNQALVVNSLEELQEKKLQRKVALVSQTTKQTPKLLQIASYLVERCTEVRIFNTICNATSYNQKAALDLSKEVDIMIVVGGKTSSNTKQLLSIAKQHCKDSYLVEDENELELAWFKDKKLCGITAGASTPDWIIENVKQKISTI
Complex: SF4_A_3(4H4C) / Model_12(4H4C/A) = [3.7] Download256.3812.10MEIKMAKDYGFCFGVKRAIQIAEKNQNSLIFGSLIHNAKEINRLEKNFNVKIEEDPKKIPKNKSVIIRTHGIPKQDLEYLKNKGVKITDATCPYVIKPQQIVESMSKEGYQIVLFGDINHPEVKGVISYATNQALVVNSLEELQEKKLQRKVALVSQTTKQTPKLLQIASYLVERCTEVRIFNTICNATSYNQKAALDLSKEVDIMIVVGGKTSSNTKQLLSIAKQHCKDSYLVEDENELELAWFKDKKLCGITAGASTPDWIIENVKQKISTI
Complex: F3S_A_3(3UTD) / Model_17(3UTD/A) = [3.7] Download213.5412.30MEIKMAKDYGFCFGVKRAIQIAEKNQNSLIFGSLIHNAKEINRLEKNFNVKIEEDPKKIPKNKSVIIRTHGIPKQDLEYLKNKGVKITDATCPYVIKPQQIVESMSKEGYQIVLFGDINHPEVKGVISYATNQALVVNSLEELQEKKLQRKVALVSQTTKQTPKLLQIASYLVERCTEVRIFNTICNATSYNQKAALDLSKEVDIMIVVGGKTSSNTKQLLSIAKQHCKDSYLVEDENELELAWFKDKKLCGITAGASTPDWIIENVKQKISTI
Complex: SF4_A_3(3SZO) / Model_6(3SZO/A) = [3.7] Download223.5612.10MEIKMAKDYGFCFGVKRAIQIAEKNQNSLIFGSLIHNAKEINRLEKNFNVKIEEDPKKIPKNKSVIIRTHGIPKQDLEYLKNKGVKITDATCPYVIKPQQIVESMSKEGYQIVLFGDINHPEVKGVISYATNQALVVNSLEELQEKKLQRKVALVSQTTKQTPKLLQIASYLVERCTEVRIFNTICNATSYNQKAALDLSKEVDIMIVVGGKTSSNTKQLLSIAKQHCKDSYLVEDENELELAWFKDKKLCGITAGASTPDWIIENVKQKISTI
Consensus
[pKd Mean = 3.60]
-244
(s=24)
13
(s=1)
MEIKMAKDYGFCFGVKRAIQIAEKNQNSLIFGSLIHNAKEINRLEKNFNVKIEEDPKKIPKNKSVIIRTHGIPKQDLEYLKNKGVKITDATCPYVIKPQQIVESMSKEGYQIVLFGDINHPEVKGVISYATNQALVVNSLEELQEKKLQRKVALVSQTTKQTPKLLQIASYLVERCTEVRIFNTICNATSYNQKAALDLSKEVDIMIVVGGKTSSNTKQLLSIAKQHCKDSYLVEDENELELAWFKDKKLCGITAGASTPDWIIENVKQKISTI