Study : bsu09440 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: CIT_F_6(1AJ8) / Model_27(1AJ8/B) = [3.1] Download534.548.70MVHYGLKGITCVETSISHIDGEKGRLIYRGHHAKDIALNHSFEEAAYLILFGKLPSTEELQVFKDKLAAERNLPEHIERLIQSLPNNMDDMSVLRTVVSALGENTYTFHPKTEEAIRLIAITPSIIAYRKRWTRGEQAIAPSSQYGHVENYYYMLTGEQPSEAKKKALETYMILATEHGMNASTFSARVTLSTESDLVSAVTAALGTMKGPLHGGAPSAVTKMLEDIGEKEHAEAYLKEKLEKGERLMGFGHRVYKTKDPRAEALRQKAEEVAGNDRDLDLALHVEAEAIRLLEIYKPGRKLYTNVEFYAAAVMRAIDFDDELFTPTFSASRMVGWCAHVLEQAENNMIFRPSAQYTGAIPEEVLS
Complex: GOL_A_4(1IOM) / Model_80(1IOM/A) = [3.1] Download568.9517.24MVHYGLKGITCVETSISHIDGEKGRLIYRGHHAKDIALNHSFEEAAYLILFGKLPSTEELQVFKDKLAAERNLPEHIERLIQSLPNNMDDMSVLRTVVSALGENTYTFHPKTEEAIRLIAITPSIIAYRKRWTRGEQAIAPSSQYGHVENYYYMLTGEQPSEAKKKALETYMILATEHGMNASTFSARVTLSTESDLVSAVTAALGTMKGPLHGGAPSAVTKMLEDIGEKEHAEAYLKEKLEKGERLMGFGHRVYKTKDPRAEALRQKAEEVAGNDRDLDLALHVEAEAIRLLEIYKPGRKLYTNVEFYAAAVMRAIDFDDELFTPTFSASRMVGWCAHVLEQAENNMIFRPSAQYTGAIPEEVLS
Complex: GOL_A_4(1IOM) / Model_4(1IOM/A) = [3.1] Download490.4617.24MVHYGLKGITCVETSISHIDGEKGRLIYRGHHAKDIALNHSFEEAAYLILFGKLPSTEELQVFKDKLAAERNLPEHIERLIQSLPNNMDDMSVLRTVVSALGENTYTFHPKTEEAIRLIAITPSIIAYRKRWTRGEQAIAPSSQYGHVENYYYMLTGEQPSEAKKKALETYMILATEHGMNASTFSARVTLSTESDLVSAVTAALGTMKGPLHGGAPSAVTKMLEDIGEKEHAEAYLKEKLEKGERLMGFGHRVYKTKDPRAEALRQKAEEVAGNDRDLDLALHVEAEAIRLLEIYKPGRKLYTNVEFYAAAVMRAIDFDDELFTPTFSASRMVGWCAHVLEQAENNMIFRPSAQYTGAIPEEVLS
Complex: FLC_A_2(2P2W) / Model_3(2P2W/A) = [4.4] Download486.987.11MVHYGLKGITCVETSISHIDGEKGRLIYRGHHAKDIALNHSFEEAAYLILFGKLPSTEELQVFKDKLAAERNLPEHIERLIQSLPNNMDDMSVLRTVVSALGENTYTFHPKTEEAIRLIAITPSIIAYRKRWTRGEQAIAPSSQYGHVENYYYMLTGEQPSEAKKKALETYMILATEHGMNASTFSARVTLSTESDLVSAVTAALGTMKGPLHGGAPSAVTKMLEDIGEKEHAEAYLKEKLEKGERLMGFGHRVYKTKDPRAEALRQKAEEVAGNDRDLDLALHVEAEAIRLLEIYKPGRKLYTNVEFYAAAVMRAIDFDDELFTPTFSASRMVGWCAHVLEQAENNMIFRPSAQYTGAIPEEVLS
Complex: COA_C_3(1A59) / Model_91(1A59/A) = [6.5] Download1427.9121.92MVHYGLKGITCVETSISHIDGEKGRLIYRGHHAKDIALNHSFEEAAYLILFGKLPSTEELQVFKDKLAAERNLPEHIERLIQSLPNNMDDMSVLRTVVSALGENTYTFHPKTEEAIRLIAITPSIIAYRKRWTRGEQAIAPSSQYGHVENYYYMLTGEQPSEAKKKALETYMILATEHGMNASTFSARVTLSTESDLVSAVTAALGTMKGPLHGGAPSAVTKMLEDIGEKEHAEAYLKEKLEKGERLMGFGHRVYKTKDPRAEALRQKAEEVAGNDRDLDLALHVEAEAIRLLEIYKPGRKLYTNVEFYAAAVMRAIDFDDELFTPTFSASRMVGWCAHVLEQAENNMIFRPSAQYTGAIPEEVLS
Consensus
[pKd Mean = 4.04]		-701
(s=364)		14
(s=5)		MVHYGLKGITCVETSISHIDGEKGRLIYRGHHAKDIALNHSFEEAAYLILFGKLPSTEELQVFKDKLAAERNLPEHIERLIQSLPNNMDDMSVLRTVVSALGENTYTFHPKTEEAIRLIAITPSIIAYRKRWTRGEQAIAPSSQYGHVENYYYMLTGEQPSEAKKKALETYMILATEHGMNASTFSARVTLSTESDLVSAVTAALGTMKGPLHGGAPSAVTKMLEDIGEKEHAEAYLKEKLEKGERLMGFGHRVYKTKDPRAEALRQKAEEVAGNDRDLDLALHVEAEAIRLLEIYKPGRKLYTNVEFYAAAVMRAIDFDDELFTPTFSASRMVGWCAHVLEQAENNMIFRPSAQYTGAIPEEVLS