Study : gbs0466 (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: NDP_A_4(3WBW) / Model_117(3WBW/A) = [3.1] Download1116.518.67MTDTMILNDNHKIPTLGLGTWMINNDRVAQVVKDAIELGYRHINTAQAYNNEKGVGVGIKESGITRESLFVTTKIAAEHKNYESATKSIDQSLEALGLDCIDLMIIHSPQPWKEWRETDKHFDQGNL
Complex: GOL_B_8(3O0K) / Model_23(3O0K/B) = [3.2] Download408.9129.00MTDTMILNDNHKIPTLGLGTWMINNDRVAQVVKDAIELGYRHINTAQAYNNEKGVGVGIKESGITRESLFVTTKIAAEHKNYESATKSIDQSLEALGLDCIDLMIIHSPQPWKEWRETDKHFDQGNL
Complex: NAP_A_3(1VP5) / Model_114(1VP5/A) = [3.3] Download983.699.56MTDTMILNDNHKIPTLGLGTWMINNDRVAQVVKDAIELGYRHINTAQAYNNEKGVGVGIKESGITRESLFVTTKIAAEHKNYESATKSIDQSLEALGLDCIDLMIIHSPQPWKEWRETDKHFDQGNL
Complex: NAP_C_3(1VBJ) / Model_110(1VBJ/A) = [3.3] Download1170.0421.54MTDTMILNDNHKIPTLGLGTWMINNDRVAQVVKDAIELGYRHINTAQAYNNEKGVGVGIKESGITRESLFVTTKIAAEHKNYESATKSIDQSLEALGLDCIDLMIIHSPQPWKEWRETDKHFDQGNL
Complex: NDP_A_3(3D3F) / Model_13(3D3F/A) = [3.4] Download865.1619.30MTDTMILNDNHKIPTLGLGTWMINNDRVAQVVKDAIELGYRHINTAQAYNNEKGVGVGIKESGITRESLFVTTKIAAEHKNYESATKSIDQSLEALGLDCIDLMIIHSPQPWKEWRETDKHFDQGNL
Consensus
[pKd Mean = 3.26]
-908
(s=271)
17
(s=7)
MTDTMILNDNHKIPTLGLGTWMINNDRVAQVVKDAIELGYRHINTAQAYNNEKGVGVGIKESGITRESLFVTTKIAAEHKNYESATKSIDQSLEALGLDCIDLMIIHSPQPWKEWRETDKHFDQGNL