Study : Rv3309c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: POP_C_14(3G6W) / Model_32(3G6W/C) = [3.1] Download878.4126.56MQVHVVDHPLAAARLTTLRDERTDNAGFRAALRELTLLLIYEATRDAPCEPVPIRTPLAETVGSRLTKPPLLVPVLRAGLGMVDEAHAALPEAHVGFVGVARDEQTHQPVPYLDSLPDDLTDVPVMVLDPMVATGGSMTHTLGLLISRGAADITVLCVVAAPEGIAALQKAAPNVRLFTAAIDEGLNEVAYIVPGLGDAGDRQFGPR
Complex: POP_B_12(3G6W) / Model_33(3G6W/B) = [3.1] Download774.2522.79MQVHVVDHPLAAARLTTLRDERTDNAGFRAALRELTLLLIYEATRDAPCEPVPIRTPLAETVGSRLTKPPLLVPVLRAGLGMVDEAHAALPEAHVGFVGVARDEQTHQPVPYLDSLPDDLTDVPVMVLDPMVATGGSMTHTLGLLISRGAADITVLCVVAAPEGIAALQKAAPNVRLFTAAIDEGLNEVAYIVPGLGDAGDRQFGPR
Complex: URA_A_16(1BD4) / Model_61(1BD4/A) = [3.2] Download690.5235.07MQVHVVDHPLAAARLTTLRDERTDNAGFRAALRELTLLLIYEATRDAPCEPVPIRTPLAETVGSRLTKPPLLVPVLRAGLGMVDEAHAALPEAHVGFVGVARDEQTHQPVPYLDSLPDDLTDVPVMVLDPMVATGGSMTHTLGLLISRGAADITVLCVVAAPEGIAALQKAAPNVRLFTAAIDEGLNEVAYIVPGLGDAGDRQFGPR
Complex: URA_A_17(1JLS) / Model_55(1JLS/A) = [3.3] Download446.3626.83MQVHVVDHPLAAARLTTLRDERTDNAGFRAALRELTLLLIYEATRDAPCEPVPIRTPLAETVGSRLTKPPLLVPVLRAGLGMVDEAHAALPEAHVGFVGVARDEQTHQPVPYLDSLPDDLTDVPVMVLDPMVATGGSMTHTLGLLISRGAADITVLCVVAAPEGIAALQKAAPNVRLFTAAIDEGLNEVAYIVPGLGDAGDRQFGPR
Complex: URA_C_14(1BD4) / Model_59(1BD4/C) = [3.9] Download601.5629.47MQVHVVDHPLAAARLTTLRDERTDNAGFRAALRELTLLLIYEATRDAPCEPVPIRTPLAETVGSRLTKPPLLVPVLRAGLGMVDEAHAALPEAHVGFVGVARDEQTHQPVPYLDSLPDDLTDVPVMVLDPMVATGGSMTHTLGLLISRGAADITVLCVVAAPEGIAALQKAAPNVRLFTAAIDEGLNEVAYIVPGLGDAGDRQFGPR
Consensus
[pKd Mean = 3.32]
-678
(s=147)
28
(s=4)
MQVHVVDHPLAAARLTTLRDERTDNAGFRAALRELTLLLIYEATRDAPCEPVPIRTPLAETVGSRLTKPPLLVPVLRAGLGMVDEAHAALPEAHVGFVGVARDEQTHQPVPYLDSLPDDLTDVPVMVLDPMVATGGSMTHTLGLLISRGAADITVLCVVAAPEGIAALQKAAPNVRLFTAAIDEGLNEVAYIVPGLGDAGDRQFGPR