Study : bsu37560 (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: THR_B_5(1EVK) / Model_38(1EVK/B) = [3.2] Download3804.9722.06MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM
Complex: 1B2_A_4(4HWT) / Model_14(4HWT/A) = [4.8] Download839.9410.90MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM
Complex: 1B2_A_4(4HWT) / Model_75(4HWT/A) = [4.8] Download873.7110.90MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM
Complex: 1B2_B_6(4HWT) / Model_41(4HWT/B) = [5.6] Download886.3211.76MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM
Complex: AMP_A_4(1QF6) / Model_70(1QF6/A) = [6.5] Download752.5029.46MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM
Consensus
[pKd Mean = 4.98]
-1431
(s=1187)
17
(s=7)
MSKHVHIQLPDGQIQEYPKGITIKEAAGSISSSLQKKAAAGQVNGKLVDLSFKLEEDAELSIVTLDSQEGLQVLRHTTAHVLAQAVKRLYGEVSLGVGPVILDGFYYDMKLGKSLASGDLEAIEKEMKNIINENLEIKRIEVSYEEAEELFAQKDERLKLEILKDIPRGEDITLYQQGEFVDLCRGPHLPSTGMIKAFKLTRVSGAYWRGDSKNEVLQRVYGVAFQKKKDLDAHLHMLEEAAKRDHRKLGKQLGLFMFSEEAPGMPFYLPKGQIVRNELERFSRELQTNAGYDEVRTPFMMNQRLWEQSGHWDHYRDNMYFSEVDDTRFAMKPMNCPGHMLIFKNSLYSYRDLPIRMAEFGQVHRHEYSGALNGMLRVRTFCQDDAHIFVREDQIESEIKEAIRLIDEVYRTFGFEYSVELSTRPEDSLGDDSLWEASERALARVLEELGLSYEINEGDGAFYGPKIDFHIKDALKRSHQCATIQLDFQMPEKFDLTYINELNEKVRPVVIHRAVFGSIDRFFGILIEHYGGAFPVWLAPIQVQIIPVSHVHLDYCRKVQAELKQAGIRAGIDERNEKLGYKIRESQVQKIPYVLVLGDHEEQENAVNVRRFGHQQNEHVPFQTFKDKLVKQVENRGM