Study : PA2257 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: HEM_A_4(1ETP) / Model_1(1ETP/A) = [9.6] Download581.0253.61MTERKRWLAGCLSALLSLPLAAAVPGPDAPADLARGKAMAQKMCSRCHDDDGNGGPRPNRSYPKLAGLDREYLYKQIYDLKTQRRRNPATNGRGEELSAADVVNVSAWFAAQRMSAGEQTLADPRQRERGRQLFENGLAQRGVPPCVTCHGPAAQGLAALKAPRLAGQWAEYLATQLHGFRDGKRGNSATMRAVAGGLEDSHIQALAGYLGSLGP
Complex: HEC_A_6(1M6Z) / Model_2(1M6Z/A) = [9.8] Download615.1948.29MTERKRWLAGCLSALLSLPLAAAVPGPDAPADLARGKAMAQKMCSRCHDDDGNGGPRPNRSYPKLAGLDREYLYKQIYDLKTQRRRNPATNGRGEELSAADVVNVSAWFAAQRMSAGEQTLADPRQRERGRQLFENGLAQRGVPPCVTCHGPAAQGLAALKAPRLAGQWAEYLATQLHGFRDGKRGNSATMRAVAGGLEDSHIQALAGYLGSLGP
Complex: HEC_D_12(1M6Z) / Model_24(1M6Z/D) = [9.9] Download662.8852.47MTERKRWLAGCLSALLSLPLAAAVPGPDAPADLARGKAMAQKMCSRCHDDDGNGGPRPNRSYPKLAGLDREYLYKQIYDLKTQRRRNPATNGRGEELSAADVVNVSAWFAAQRMSAGEQTLADPRQRERGRQLFENGLAQRGVPPCVTCHGPAAQGLAALKAPRLAGQWAEYLATQLHGFRDGKRGNSATMRAVAGGLEDSHIQALAGYLGSLGP
Complex: HEC_C_10(1M6Z) / Model_25(1M6Z/C) = [9.9] Download578.9453.05MTERKRWLAGCLSALLSLPLAAAVPGPDAPADLARGKAMAQKMCSRCHDDDGNGGPRPNRSYPKLAGLDREYLYKQIYDLKTQRRRNPATNGRGEELSAADVVNVSAWFAAQRMSAGEQTLADPRQRERGRQLFENGLAQRGVPPCVTCHGPAAQGLAALKAPRLAGQWAEYLATQLHGFRDGKRGNSATMRAVAGGLEDSHIQALAGYLGSLGP
Complex: HEC_D_12(1M70) / Model_21(1M70/D) = [9.9] Download692.1653.05MTERKRWLAGCLSALLSLPLAAAVPGPDAPADLARGKAMAQKMCSRCHDDDGNGGPRPNRSYPKLAGLDREYLYKQIYDLKTQRRRNPATNGRGEELSAADVVNVSAWFAAQRMSAGEQTLADPRQRERGRQLFENGLAQRGVPPCVTCHGPAAQGLAALKAPRLAGQWAEYLATQLHGFRDGKRGNSATMRAVAGGLEDSHIQALAGYLGSLGP
Consensus
[pKd Mean = 9.82]
-626
(s=44)
52
(s=1)
MTERKRWLAGCLSALLSLPLAAAVPGPDAPADLARGKAMAQKMCSRCHDDDGNGGPRPNRSYPKLAGLDREYLYKQIYDLKTQRRRNPATNGRGEELSAADVVNVSAWFAAQRMSAGEQTLADPRQRERGRQLFENGLAQRGVPPCVTCHGPAAQGLAALKAPRLAGQWAEYLATQLHGFRDGKRGNSATMRAVAGGLEDSHIQALAGYLGSLGP