Study : Wbm0684 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C10_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 C10_S1
Complex: FMT_A_5(3Q3V) / Model_83(3Q3V/A) = [3.1] Download156.3534.07MMNIPNIENCDLHGKAVLLRVDFNIPIKNGKVHDATRVLRSLPTIRHLVNAGAKVIIISHFGRPRAKDNNLSLKNVVKTLSQLLNKEVKFVDDCIGKKVQKVVNAIAIRDVILLENLRFYKEEEQNDANFAKQLASLADVYVNDAFSCSHRAHASISRITEFLPSYAGFCLQDELRYLEKAVSFEAKPITAIVGGAKISTKIKMLIRLAEKVDYLVLGGAIANNFLLFNKVNIGKSFFQNGVDSLLHDVVKIADKNNCKIVIPEDVLIAVNSDYSTCILRKTESVLDNDVILDIGPQTLSTISSIVASSKALLWNGPIGVFEHSAFANGTIEVMKVVSDSTHKGKLTSVIGGGDSLSAINAAGLTDKDFTYVSTGGGAFLSWLSGDKMPGIAALQSMLN
Complex: CDF_B_5(3C3B) / Model_43(3C3B/B) = [3.2] Download1544.9915.80MMNIPNIENCDLHGKAVLLRVDFNIPIKNGKVHDATRVLRSLPTIRHLVNAGAKVIIISHFGRPRAKDNNLSLKNVVKTLSQLLNKEVKFVDDCIGKKVQKVVNAIAIRDVILLENLRFYKEEEQNDANFAKQLASLADVYVNDAFSCSHRAHASISRITEFLPSYAGFCLQDELRYLEKAVSFEAKPITAIVGGAKISTKIKMLIRLAEKVDYLVLGGAIANNFLLFNKVNIGKSFFQNGVDSLLHDVVKIADKNNCKIVIPEDVLIAVNSDYSTCILRKTESVLDNDVILDIGPQTLSTISSIVASSKALLWNGPIGVFEHSAFANGTIEVMKVVSDSTHKGKLTSVIGGGDSLSAINAAGLTDKDFTYVSTGGGAFLSWLSGDKMPGIAALQSMLN
Complex: 3PG_B_4(2PAA) / Model_28(2PAA/B) = [3.7] Download799.39-26.39MMNIPNIENCDLHGKAVLLRVDFNIPIKNGKVHDATRVLRSLPTIRHLVNAGAKVIIISHFGRPRAKDNNLSLKNVVKTLSQLLNKEVKFVDDCIGKKVQKVVNAIAIRDVILLENLRFYKEEEQNDANFAKQLASLADVYVNDAFSCSHRAHASISRITEFLPSYAGFCLQDELRYLEKAVSFEAKPITAIVGGAKISTKIKMLIRLAEKVDYLVLGGAIANNFLLFNKVNIGKSFFQNGVDSLLHDVVKIADKNNCKIVIPEDVLIAVNSDYSTCILRKTESVLDNDVILDIGPQTLSTISSIVASSKALLWNGPIGVFEHSAFANGTIEVMKVVSDSTHKGKLTSVIGGGDSLSAINAAGLTDKDFTYVSTGGGAFLSWLSGDKMPGIAALQSMLN
Complex: 3PG_A_4(3C3A) / Model_46(3C3A/A) = [3.8] Download340.62-22.83MMNIPNIENCDLHGKAVLLRVDFNIPIKNGKVHDATRVLRSLPTIRHLVNAGAKVIIISHFGRPRAKDNNLSLKNVVKTLSQLLNKEVKFVDDCIGKKVQKVVNAIAIRDVILLENLRFYKEEEQNDANFAKQLASLADVYVNDAFSCSHRAHASISRITEFLPSYAGFCLQDELRYLEKAVSFEAKPITAIVGGAKISTKIKMLIRLAEKVDYLVLGGAIANNFLLFNKVNIGKSFFQNGVDSLLHDVVKIADKNNCKIVIPEDVLIAVNSDYSTCILRKTESVLDNDVILDIGPQTLSTISSIVASSKALLWNGPIGVFEHSAFANGTIEVMKVVSDSTHKGKLTSVIGGGDSLSAINAAGLTDKDFTYVSTGGGAFLSWLSGDKMPGIAALQSMLN
Complex: ADP_A_2(4FEY) / Model_4(4FEY/A) = [4.1] Download1118.1811.24MMNIPNIENCDLHGKAVLLRVDFNIPIKNGKVHDATRVLRSLPTIRHLVNAGAKVIIISHFGRPRAKDNNLSLKNVVKTLSQLLNKEVKFVDDCIGKKVQKVVNAIAIRDVILLENLRFYKEEEQNDANFAKQLASLADVYVNDAFSCSHRAHASISRITEFLPSYAGFCLQDELRYLEKAVSFEAKPITAIVGGAKISTKIKMLIRLAEKVDYLVLGGAIANNFLLFNKVNIGKSFFQNGVDSLLHDVVKIADKNNCKIVIPEDVLIAVNSDYSTCILRKTESVLDNDVILDIGPQTLSTISSIVASSKALLWNGPIGVFEHSAFANGTIEVMKVVSDSTHKGKLTSVIGGGDSLSAINAAGLTDKDFTYVSTGGGAFLSWLSGDKMPGIAALQSMLN
Consensus
[pKd Mean = 3.58]
-791
(s=506)
2
(s=23)
MMNIPNIENCDLHGKAVLLRVDFNIPIKNGKVHDATRVLRSLPTIRHLVNAGAKVIIISHFGRPRAKDNNLSLKNVVKTLSQLLNKEVKFVDDCIGKKVQKVVNAIAIRDVILLENLRFYKEEEQNDANFAKQLASLADVYVNDAFSCSHRAHASISRITEFLPSYAGFCLQDELRYLEKAVSFEAKPITAIVGGAKISTKIKMLIRLAEKVDYLVLGGAIANNFLLFNKVNIGKSFFQNGVDSLLHDVVKIADKNNCKIVIPEDVLIAVNSDYSTCILRKTESVLDNDVILDIGPQTLSTISSIVASSKALLWNGPIGVFEHSAFANGTIEVMKVVSDSTHKGKLTSVIGGGDSLSAINAAGLTDKDFTYVSTGGGAFLSWLSGDKMPGIAALQSMLN