Study : jhp_1294 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ENO_C_8(3GGO) / Model_25(3GGO/C) = [3.2] Download713.5629.86MKAGIIGLGLMGGSLGLALQEWGRFKSVIGYDHNALHAKLALTLGLVDECVEFEKILECDVIFLAIPVEGIIECLKKMTPIKKSATIIDLGGAKAQILHNIPKSIRQNFIAAHPMCGTEFYGPKASVKGLYENALVILCDLEDSGTEQVEIAKEIFLGIKARLIKMKSNEHDTHVAYISHLPHVLSYALANSVLKQNDPEMILSLAGGGFRDMSRLSKSSPLMWKDIFKQNRDNVLEAIEKCEKEIAQAKAWIENNDYESLAEWMAQANKLQEFM
Complex: NAI_C_9(3GGO) / Model_25(3GGO/C) = [7.6] Download1261.2922.40MKAGIIGLGLMGGSLGLALQEWGRFKSVIGYDHNALHAKLALTLGLVDECVEFEKILECDVIFLAIPVEGIIECLKKMTPIKKSATIIDLGGAKAQILHNIPKSIRQNFIAAHPMCGTEFYGPKASVKGLYENALVILCDLEDSGTEQVEIAKEIFLGIKARLIKMKSNEHDTHVAYISHLPHVLSYALANSVLKQNDPEMILSLAGGGFRDMSRLSKSSPLMWKDIFKQNRDNVLEAIEKCEKEIAQAKAWIENNDYESLAEWMAQANKLQEFM
Complex: NAD_A_5(2G5C) / Model_30(2G5C/A) = [8.7] Download1341.9122.92MKAGIIGLGLMGGSLGLALQEWGRFKSVIGYDHNALHAKLALTLGLVDECVEFEKILECDVIFLAIPVEGIIECLKKMTPIKKSATIIDLGGAKAQILHNIPKSIRQNFIAAHPMCGTEFYGPKASVKGLYENALVILCDLEDSGTEQVEIAKEIFLGIKARLIKMKSNEHDTHVAYISHLPHVLSYALANSVLKQNDPEMILSLAGGGFRDMSRLSKSSPLMWKDIFKQNRDNVLEAIEKCEKEIAQAKAWIENNDYESLAEWMAQANKLQEFM
Complex: NAD_C_9(3GGG) / Model_27(3GGG/C) = [9.1] Download1512.5724.19MKAGIIGLGLMGGSLGLALQEWGRFKSVIGYDHNALHAKLALTLGLVDECVEFEKILECDVIFLAIPVEGIIECLKKMTPIKKSATIIDLGGAKAQILHNIPKSIRQNFIAAHPMCGTEFYGPKASVKGLYENALVILCDLEDSGTEQVEIAKEIFLGIKARLIKMKSNEHDTHVAYISHLPHVLSYALANSVLKQNDPEMILSLAGGGFRDMSRLSKSSPLMWKDIFKQNRDNVLEAIEKCEKEIAQAKAWIENNDYESLAEWMAQANKLQEFM
Consensus
[pKd Mean = 7.15]
-1207
(s=299)
24
(s=3)
MKAGIIGLGLMGGSLGLALQEWGRFKSVIGYDHNALHAKLALTLGLVDECVEFEKILECDVIFLAIPVEGIIECLKKMTPIKKSATIIDLGGAKAQILHNIPKSIRQNFIAAHPMCGTEFYGPKASVKGLYENALVILCDLEDSGTEQVEIAKEIFLGIKARLIKMKSNEHDTHVAYISHLPHVLSYALANSVLKQNDPEMILSLAGGGFRDMSRLSKSSPLMWKDIFKQNRDNVLEAIEKCEKEIAQAKAWIENNDYESLAEWMAQANKLQEFM