Study : D6TPR2_9CHLR (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C5_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 C5_S1
Complex: ATP_A_2(4WH3) / Model_27(4WH3/A) = [4.2] Download910.3130.69MLFENESMGFNHDEICATWNIPPLVSVQKPLTGTIHNVFLLTTREAKYVLRIYSYPPEKRFRIVNEHAIARYVQSHHLPAIAPLPISSGCETFLERDGHFYALYPFAQGEQLSRAMLNSNQSHVGEIISAMGHSLAEVHLVLSSYCLPTTRPLSLVVNREQTIAKIEELEIVIPAKEALDDLDQRVLSALRARKQYLLTASDVDVSELNALPWQPLHGDFQETNLFFSHGRVSAIIDWDQACSGPRAWEILRTLHYVFALDPSRCQRFLEAYQQVFPLPMEVLHLTAKVYTWVQLNNLWGWRSYYLDNNQSLRQLLSTSDSQPFTTRWAQLAKML
Complex: ADP_A_7(1J7L) / Model_57(1J7L/A) = [6.6] Download637.9135.85MLFENESMGFNHDEICATWNIPPLVSVQKPLTGTIHNVFLLTTREAKYVLRIYSYPPEKRFRIVNEHAIARYVQSHHLPAIAPLPISSGCETFLERDGHFYALYPFAQGEQLSRAMLNSNQSHVGEIISAMGHSLAEVHLVLSSYCLPTTRPLSLVVNREQTIAKIEELEIVIPAKEALDDLDQRVLSALRARKQYLLTASDVDVSELNALPWQPLHGDFQETNLFFSHGRVSAIIDWDQACSGPRAWEILRTLHYVFALDPSRCQRFLEAYQQVFPLPMEVLHLTAKVYTWVQLNNLWGWRSYYLDNNQSLRQLLSTSDSQPFTTRWAQLAKML
Consensus
[pKd Mean = 5.40]
-774
(s=136)
33
(s=2)
MLFENESMGFNHDEICATWNIPPLVSVQKPLTGTIHNVFLLTTREAKYVLRIYSYPPEKRFRIVNEHAIARYVQSHHLPAIAPLPISSGCETFLERDGHFYALYPFAQGEQLSRAMLNSNQSHVGEIISAMGHSLAEVHLVLSSYCLPTTRPLSLVVNREQTIAKIEELEIVIPAKEALDDLDQRVLSALRARKQYLLTASDVDVSELNALPWQPLHGDFQETNLFFSHGRVSAIIDWDQACSGPRAWEILRTLHYVFALDPSRCQRFLEAYQQVFPLPMEVLHLTAKVYTWVQLNNLWGWRSYYLDNNQSLRQLLSTSDSQPFTTRWAQLAKML