Study : PA1279 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: IPH_A_3(4HDS) / Model_35(4HDS/A) = [3.1] Download515.2526.83MSLQWWRDTCREADPQMRRRAAERQDRLTKPRGSLGRLEQVAIDLAALQGRERPSLERIWVTVFAGDHGVVAEGISAYPQAVTGEMLRNFVRGGAAISVLARELGAGLEVVDLGTAFPLEALPGVRHLRLAAGTANFVEAPAMGAEECLLALEAGRESVRRAEQAGSQLFIGGEMGIGNTTAAAAMACALLDAPASALVGPGTGLDASGVAHKAAVIERALALHGAHRADPFETLRRLGGLEIAALAGAYLACAQKGMVALVDGYICSVAALCAVRLNPACRDWLLFAHSGAEPGHRHVLEALAAQPLLDLGLRLGEGSGAALAVPLLRQACALHAGMATFAEAAVSDRPA
Complex: DMD_C_12(4HDR) / Model_36(4HDR/C) = [3.6] Download923.7019.71MSLQWWRDTCREADPQMRRRAAERQDRLTKPRGSLGRLEQVAIDLAALQGRERPSLERIWVTVFAGDHGVVAEGISAYPQAVTGEMLRNFVRGGAAISVLARELGAGLEVVDLGTAFPLEALPGVRHLRLAAGTANFVEAPAMGAEECLLALEAGRESVRRAEQAGSQLFIGGEMGIGNTTAAAAMACALLDAPASALVGPGTGLDASGVAHKAAVIERALALHGAHRADPFETLRRLGGLEIAALAGAYLACAQKGMVALVDGYICSVAALCAVRLNPACRDWLLFAHSGAEPGHRHVLEALAAQPLLDLGLRLGEGSGAALAVPLLRQACALHAGMATFAEAAVSDRPA
Complex: 13X_A_4(4HDK) / Model_39(4HDK/A) = [4.0] Download715.6120.31MSLQWWRDTCREADPQMRRRAAERQDRLTKPRGSLGRLEQVAIDLAALQGRERPSLERIWVTVFAGDHGVVAEGISAYPQAVTGEMLRNFVRGGAAISVLARELGAGLEVVDLGTAFPLEALPGVRHLRLAAGTANFVEAPAMGAEECLLALEAGRESVRRAEQAGSQLFIGGEMGIGNTTAAAAMACALLDAPASALVGPGTGLDASGVAHKAAVIERALALHGAHRADPFETLRRLGGLEIAALAGAYLACAQKGMVALVDGYICSVAALCAVRLNPACRDWLLFAHSGAEPGHRHVLEALAAQPLLDLGLRLGEGSGAALAVPLLRQACALHAGMATFAEAAVSDRPA
Complex: AAM_C_3(1JHA) / Model_6(1JHA/A) = [4.1] Download588.4220.64MSLQWWRDTCREADPQMRRRAAERQDRLTKPRGSLGRLEQVAIDLAALQGRERPSLERIWVTVFAGDHGVVAEGISAYPQAVTGEMLRNFVRGGAAISVLARELGAGLEVVDLGTAFPLEALPGVRHLRLAAGTANFVEAPAMGAEECLLALEAGRESVRRAEQAGSQLFIGGEMGIGNTTAAAAMACALLDAPASALVGPGTGLDASGVAHKAAVIERALALHGAHRADPFETLRRLGGLEIAALAGAYLACAQKGMVALVDGYICSVAALCAVRLNPACRDWLLFAHSGAEPGHRHVLEALAAQPLLDLGLRLGEGSGAALAVPLLRQACALHAGMATFAEAAVSDRPA
Complex: RBZ_C_3(1D0V) / Model_57(1D0V/A) = [4.4] Download658.3717.73MSLQWWRDTCREADPQMRRRAAERQDRLTKPRGSLGRLEQVAIDLAALQGRERPSLERIWVTVFAGDHGVVAEGISAYPQAVTGEMLRNFVRGGAAISVLARELGAGLEVVDLGTAFPLEALPGVRHLRLAAGTANFVEAPAMGAEECLLALEAGRESVRRAEQAGSQLFIGGEMGIGNTTAAAAMACALLDAPASALVGPGTGLDASGVAHKAAVIERALALHGAHRADPFETLRRLGGLEIAALAGAYLACAQKGMVALVDGYICSVAALCAVRLNPACRDWLLFAHSGAEPGHRHVLEALAAQPLLDLGLRLGEGSGAALAVPLLRQACALHAGMATFAEAAVSDRPA
Consensus
[pKd Mean = 3.84]
-680
(s=139)
21
(s=3)
MSLQWWRDTCREADPQMRRRAAERQDRLTKPRGSLGRLEQVAIDLAALQGRERPSLERIWVTVFAGDHGVVAEGISAYPQAVTGEMLRNFVRGGAAISVLARELGAGLEVVDLGTAFPLEALPGVRHLRLAAGTANFVEAPAMGAEECLLALEAGRESVRRAEQAGSQLFIGGEMGIGNTTAAAAMACALLDAPASALVGPGTGLDASGVAHKAAVIERALALHGAHRADPFETLRRLGGLEIAALAGAYLACAQKGMVALVDGYICSVAALCAVRLNPACRDWLLFAHSGAEPGHRHVLEALAAQPLLDLGLRLGEGSGAALAVPLLRQACALHAGMATFAEAAVSDRPA