Study : SA0118 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: PYR_C_11(2VWT) / Model_25(2VWT/C) = [3.3] Download368.759.36MMQQLSLKHRLNNGDSVYGIFNSIPDPLMIEVIAASGYDFVVIDTEHVAINDETLAHLIRAAEAAHIIPIVRVTAVIDRDIIKVLDMGARGIIVPHVKDRETVEHIVKLSRYYPQGLRSLNGGRMARFGRTPLLDAMEMANEHIMVIAMIEDVEGVMAIDDIAQVEGLDMIVEGAADLSQSLGIPWQTRDDQVTSHVQHIFEVVNAHGKHFCALPREDEDIAKWQAQGVQTFILGDDRGKIYRHLSASLATSKQKGDDG
Complex: PYR_A_5(2VWT) / Model_8(2VWT/A) = [3.3] Download384.5715.13MMQQLSLKHRLNNGDSVYGIFNSIPDPLMIEVIAASGYDFVVIDTEHVAINDETLAHLIRAAEAAHIIPIVRVTAVIDRDIIKVLDMGARGIIVPHVKDRETVEHIVKLSRYYPQGLRSLNGGRMARFGRTPLLDAMEMANEHIMVIAMIEDVEGVMAIDDIAQVEGLDMIVEGAADLSQSLGIPWQTRDDQVTSHVQHIFEVVNAHGKHFCALPREDEDIAKWQAQGVQTFILGDDRGKIYRHLSASLATSKQKGDDG
Consensus
[pKd Mean = 3.30]
-376
(s=7)
12
(s=2)
MMQQLSLKHRLNNGDSVYGIFNSIPDPLMIEVIAASGYDFVVIDTEHVAINDETLAHLIRAAEAAHIIPIVRVTAVIDRDIIKVLDMGARGIIVPHVKDRETVEHIVKLSRYYPQGLRSLNGGRMARFGRTPLLDAMEMANEHIMVIAMIEDVEGVMAIDDIAQVEGLDMIVEGAADLSQSLGIPWQTRDDQVTSHVQHIFEVVNAHGKHFCALPREDEDIAKWQAQGVQTFILGDDRGKIYRHLSASLATSKQKGDDG