Study : bsu10100 (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_2(4OZ5) / Model_4(4OZ5/A) = [6.7] Download711.5430.62MKVYITYGTADFLKTIVQKHPSENILLMQGQENAILIHETNGDTVFQAPHAYEVIDQVGEIKHPGFAVLNNIAVTQEGRPLFENRFKNRAGKVENEPGFEAIRVLRPLDSDTYVILTLWETESAFQDWQQSGSYKEAHKKRDTSAGIDTTSIFSRPSYVTTYFAVE
Complex: HEM_A_2(4JOU) / Model_1(4JOU/A) = [9.4] Download777.6128.45MKVYITYGTADFLKTIVQKHPSENILLMQGQENAILIHETNGDTVFQAPHAYEVIDQVGEIKHPGFAVLNNIAVTQEGRPLFENRFKNRAGKVENEPGFEAIRVLRPLDSDTYVILTLWETESAFQDWQQSGSYKEAHKKRDTSAGIDTTSIFSRPSYVTTYFAVE
Complex: HEM_D_10(4FVC) / Model_23(4FVC/D) = [10.1] Download739.9631.84MKVYITYGTADFLKTIVQKHPSENILLMQGQENAILIHETNGDTVFQAPHAYEVIDQVGEIKHPGFAVLNNIAVTQEGRPLFENRFKNRAGKVENEPGFEAIRVLRPLDSDTYVILTLWETESAFQDWQQSGSYKEAHKKRDTSAGIDTTSIFSRPSYVTTYFAVE
Complex: HEM_F_12(4FVC) / Model_21(4FVC/F) = [10.4] Download622.3631.84MKVYITYGTADFLKTIVQKHPSENILLMQGQENAILIHETNGDTVFQAPHAYEVIDQVGEIKHPGFAVLNNIAVTQEGRPLFENRFKNRAGKVENEPGFEAIRVLRPLDSDTYVILTLWETESAFQDWQQSGSYKEAHKKRDTSAGIDTTSIFSRPSYVTTYFAVE
Complex: HEM_E_11(4FVC) / Model_22(4FVC/E) = [10.5] Download572.5735.48MKVYITYGTADFLKTIVQKHPSENILLMQGQENAILIHETNGDTVFQAPHAYEVIDQVGEIKHPGFAVLNNIAVTQEGRPLFENRFKNRAGKVENEPGFEAIRVLRPLDSDTYVILTLWETESAFQDWQQSGSYKEAHKKRDTSAGIDTTSIFSRPSYVTTYFAVE
Consensus
[pKd Mean = 9.42]
-684
(s=75)
31
(s=2)
MKVYITYGTADFLKTIVQKHPSENILLMQGQENAILIHETNGDTVFQAPHAYEVIDQVGEIKHPGFAVLNNIAVTQEGRPLFENRFKNRAGKVENEPGFEAIRVLRPLDSDTYVILTLWETESAFQDWQQSGSYKEAHKKRDTSAGIDTTSIFSRPSYVTTYFAVE