Study : A6TAJ2_KLEP7_ (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: ADN_A_5(2Q83) / Model_43(2Q83/A) = [3.3] Download1011.2835.81MVENMGRDSMWQAISTLLRDWHTEDAEIELKTELPGGEIHSAWHLRFGGKDYFVKCDERELLPIFTAESDQLELLSRSKTVRVPQVFAVGSDRDYSFVVMEYLPPRPLDAHNAFLLGQQLAHLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSVFFAEQRIGWQLELAAEKGLHFGDIDTLVDMVQQRLANHQPQPSLLHGDLWSGNCALGPDGPYIFDPACYWGDRECDLAMLPMHPEQPPQIYDGYQSVSPLPSGFLDRQPIYQLYTLLNRAILFGGQHLVTAQQALDDVLMEKMR
Complex: AMP_A_3(4R78) / Model_36(4R78/A) = [4.0] Download996.6921.21MVENMGRDSMWQAISTLLRDWHTEDAEIELKTELPGGEIHSAWHLRFGGKDYFVKCDERELLPIFTAESDQLELLSRSKTVRVPQVFAVGSDRDYSFVVMEYLPPRPLDAHNAFLLGQQLAHLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSVFFAEQRIGWQLELAAEKGLHFGDIDTLVDMVQQRLANHQPQPSLLHGDLWSGNCALGPDGPYIFDPACYWGDRECDLAMLPMHPEQPPQIYDGYQSVSPLPSGFLDRQPIYQLYTLLNRAILFGGQHLVTAQQALDDVLMEKMR
Consensus
[pKd Mean = 3.65]
-1003
(s=7)
28
(s=7)
MVENMGRDSMWQAISTLLRDWHTEDAEIELKTELPGGEIHSAWHLRFGGKDYFVKCDERELLPIFTAESDQLELLSRSKTVRVPQVFAVGSDRDYSFVVMEYLPPRPLDAHNAFLLGQQLAHLHQWSDQPQFGLDFDNDLSTTPQPNAWQRRWSVFFAEQRIGWQLELAAEKGLHFGDIDTLVDMVQQRLANHQPQPSLLHGDLWSGNCALGPDGPYIFDPACYWGDRECDLAMLPMHPEQPPQIYDGYQSVSPLPSGFLDRQPIYQLYTLLNRAILFGGQHLVTAQQALDDVLMEKMR