Study : Wbm0570 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: DS0_B_11(4C5A) / Model_23(4C5A/B) = [3.1] Download363.30-2.58MYVVIINIVLLKVLMVLTITILSGGFSRERKISLMSGKAVKKALDSLSYNAIEIDVNSNTAEKLKKINPDLAFIALHGPYGEDGCIQGLLEILGIKYTHSGVMASAIAMNKAMSKHIFRSLGIDTPKGYIISRGDILKNNIKIDYPYVLKPINEGSSIGVHITFSHEDYLKLKNMFSVIPVHDAGIEEEEPVWITRDLMIIEEYIPGIELHTAVLLDEAAGTMEIRPKNKFYDYKAKYTNGFAEHIFPAEIPDNIYEMTLEHALKVHRFLGCKTISRSDFRYNPKDNTLKMLEINTHPGFTELSLVPEIAKLTKGIDFNELVKIIIEDSLQHKKILEIK
Complex: DAL_A_5(4C5B) / Model_4(4C5B/A) = [3.1] Download289.9813.16MYVVIINIVLLKVLMVLTITILSGGFSRERKISLMSGKAVKKALDSLSYNAIEIDVNSNTAEKLKKINPDLAFIALHGPYGEDGCIQGLLEILGIKYTHSGVMASAIAMNKAMSKHIFRSLGIDTPKGYIISRGDILKNNIKIDYPYVLKPINEGSSIGVHITFSHEDYLKLKNMFSVIPVHDAGIEEEEPVWITRDLMIIEEYIPGIELHTAVLLDEAAGTMEIRPKNKFYDYKAKYTNGFAEHIFPAEIPDNIYEMTLEHALKVHRFLGCKTISRSDFRYNPKDNTLKMLEINTHPGFTELSLVPEIAKLTKGIDFNELVKIIIEDSLQHKKILEIK
Complex: DS0_A_5(4C5A) / Model_3(4C5A/A) = [3.2] Download412.15-1.35MYVVIINIVLLKVLMVLTITILSGGFSRERKISLMSGKAVKKALDSLSYNAIEIDVNSNTAEKLKKINPDLAFIALHGPYGEDGCIQGLLEILGIKYTHSGVMASAIAMNKAMSKHIFRSLGIDTPKGYIISRGDILKNNIKIDYPYVLKPINEGSSIGVHITFSHEDYLKLKNMFSVIPVHDAGIEEEEPVWITRDLMIIEEYIPGIELHTAVLLDEAAGTMEIRPKNKFYDYKAKYTNGFAEHIFPAEIPDNIYEMTLEHALKVHRFLGCKTISRSDFRYNPKDNTLKMLEINTHPGFTELSLVPEIAKLTKGIDFNELVKIIIEDSLQHKKILEIK
Complex: PHY_A_5(1IOW) / Model_6(1IOW/A) = [4.2] Download467.925.35MYVVIINIVLLKVLMVLTITILSGGFSRERKISLMSGKAVKKALDSLSYNAIEIDVNSNTAEKLKKINPDLAFIALHGPYGEDGCIQGLLEILGIKYTHSGVMASAIAMNKAMSKHIFRSLGIDTPKGYIISRGDILKNNIKIDYPYVLKPINEGSSIGVHITFSHEDYLKLKNMFSVIPVHDAGIEEEEPVWITRDLMIIEEYIPGIELHTAVLLDEAAGTMEIRPKNKFYDYKAKYTNGFAEHIFPAEIPDNIYEMTLEHALKVHRFLGCKTISRSDFRYNPKDNTLKMLEINTHPGFTELSLVPEIAKLTKGIDFNELVKIIIEDSLQHKKILEIK
Complex: PHY_A_4(1E4E) / Model_36(1E4E/A) = [5.0] Download651.50-0.25MYVVIINIVLLKVLMVLTITILSGGFSRERKISLMSGKAVKKALDSLSYNAIEIDVNSNTAEKLKKINPDLAFIALHGPYGEDGCIQGLLEILGIKYTHSGVMASAIAMNKAMSKHIFRSLGIDTPKGYIISRGDILKNNIKIDYPYVLKPINEGSSIGVHITFSHEDYLKLKNMFSVIPVHDAGIEEEEPVWITRDLMIIEEYIPGIELHTAVLLDEAAGTMEIRPKNKFYDYKAKYTNGFAEHIFPAEIPDNIYEMTLEHALKVHRFLGCKTISRSDFRYNPKDNTLKMLEINTHPGFTELSLVPEIAKLTKGIDFNELVKIIIEDSLQHKKILEIK
Consensus
[pKd Mean = 3.72]
-436
(s=122)
2
(s=5)
MYVVIINIVLLKVLMVLTITILSGGFSRERKISLMSGKAVKKALDSLSYNAIEIDVNSNTAEKLKKINPDLAFIALHGPYGEDGCIQGLLEILGIKYTHSGVMASAIAMNKAMSKHIFRSLGIDTPKGYIISRGDILKNNIKIDYPYVLKPINEGSSIGVHITFSHEDYLKLKNMFSVIPVHDAGIEEEEPVWITRDLMIIEEYIPGIELHTAVLLDEAAGTMEIRPKNKFYDYKAKYTNGFAEHIFPAEIPDNIYEMTLEHALKVHRFLGCKTISRSDFRYNPKDNTLKMLEINTHPGFTELSLVPEIAKLTKGIDFNELVKIIIEDSLQHKKILEIK