Study : Lmo1984 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: 1SM_A_7(1T9C) / Model_5(1T9C/A) = [3.4] Download1317.9746.79VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE
Complex: 1SM_B_10(1T9C) / Model_24(1T9C/B) = [3.6] Download1302.3946.73VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE
Complex: CIE_A_7(1N0H) / Model_2(1N0H/A) = [3.8] Download1301.2652.00VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE
Complex: CIE_B_11(1N0H) / Model_27(1N0H/B) = [3.9] Download1079.7548.57VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE
Complex: 1TB_B_11(1T9A) / Model_26(1T9A/B) = [3.9] Download1603.2435.83VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE
Consensus
[pKd Mean = 3.72]
-1320
(s=166)
45
(s=5)
VIDTTKTNEKATKKQNKSGAELLIDALKKQQVDMIFGYPGGAVLPLYDAFYDCDIPHILTRHEQGAIHAAEGYARVTGKPGVVVVTSGPGATNVLTGIADAMSDSIPLVIFTGQVHTPGIGKDAFQEADMIGLTIPITKYNYQVRDVRDLPKIVNEAFHIASTGRKGPVVVDIPKDMGIIQTESVRPDTIDLPGYQPTYSPNPLQLEKLMQSLSAASKPLILAGAGVNHARATAELLEFAERYQIPIVNTLLGLGSFPQSHDLFLGMGGMHGSYAANMALTDCDLLINFGSRFDDRLASAPKEFATKATIAHIDIDPAEIGKIIETQIPIVADINETLTQLLQMELPVHPDTSHWYKLNMTRKNRHPFNFDRTKKAEIKPQRVIELIGEITQGEALVSTDVGQHQMWAAQFYPFQFDHQIITSGGLGTMGFGFPAAVGAQLAFPDKTVVAIVGDGGFQMTNQELAILNDYQINVKTVIINNGSLGMVRQWQEKFHGERYSHSIFTSQPDFVKLSEAYGVKGVRLTNPETLEKDLRKAFAHPGPIVIDVHVAKDELVLPMVPSGKPNHQMEGVE