Study : PA2666 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: 2K8_C_12(4NTM) / Model_50(4NTM/C) = [3.2] Download599.77-1.14MELFKEFTFESAHRLPHVPEGHKCGRLHGHSFRVAIHIEGEVDPHTGWIRDFAEIKAIFKPIYEQLDHNYLNDIPGLENPTSENLCRWIWQQLKPLLPELSKVRVHETCTSGCEYRGD
Complex: 2K8_A_8(4NTM) / Model_4(4NTM/A) = [3.3] Download735.69-1.14MELFKEFTFESAHRLPHVPEGHKCGRLHGHSFRVAIHIEGEVDPHTGWIRDFAEIKAIFKPIYEQLDHNYLNDIPGLENPTSENLCRWIWQQLKPLLPELSKVRVHETCTSGCEYRGD
Complex: 2K8_D_14(4NTM) / Model_49(4NTM/D) = [3.3] Download652.473.94MELFKEFTFESAHRLPHVPEGHKCGRLHGHSFRVAIHIEGEVDPHTGWIRDFAEIKAIFKPIYEQLDHNYLNDIPGLENPTSENLCRWIWQQLKPLLPELSKVRVHETCTSGCEYRGD
Complex: 2K8_F_18(4NTM) / Model_47(4NTM/F) = [3.3] Download693.991.75MELFKEFTFESAHRLPHVPEGHKCGRLHGHSFRVAIHIEGEVDPHTGWIRDFAEIKAIFKPIYEQLDHNYLNDIPGLENPTSENLCRWIWQQLKPLLPELSKVRVHETCTSGCEYRGD
Complex: 2K8_E_16(4NTM) / Model_48(4NTM/E) = [3.5] Download823.65-3.25MELFKEFTFESAHRLPHVPEGHKCGRLHGHSFRVAIHIEGEVDPHTGWIRDFAEIKAIFKPIYEQLDHNYLNDIPGLENPTSENLCRWIWQQLKPLLPELSKVRVHETCTSGCEYRGD
Consensus
[pKd Mean = 3.32]
-701
(s=76)
0
(s=2)
MELFKEFTFESAHRLPHVPEGHKCGRLHGHSFRVAIHIEGEVDPHTGWIRDFAEIKAIFKPIYEQLDHNYLNDIPGLENPTSENLCRWIWQQLKPLLPELSKVRVHETCTSGCEYRGD