Study : SA0150 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: TRS_A_2(4NEQ) / Model_2(4NEQ/A) = [3.5] Download530.35-8.73MEKLKLMTIVGTRPEIIRLSSTIKACDQYFNQILVHTGQNYDYTLNQIFFDDLELRQPDHYLEAVGSNLGETMGNIIAKTYDVLLREQPDALLILGDTNSCLAAVSAKRLKIPVFHMEAGNRCFDQNVPEEINRKIVDHVSDVNLPYTEHSRRYLLDEGFNKANIFVTGSPMTEVIEAHRDKINHSDVLNKLGLEPQQYILVSAHREENIDNEKNFKSLMNAINDIAKKYKMPVIYSTHPRSWKKIEESKFEFDPLVKQLKPFGFFDYNALQKDAFVVLSDSGTLSEESSILKFPGVLIRTSTERPEVLDKGTVIVGGITYNNLIQSVELAREMQNNNEPMIDAIDYKDTNVSTKVVKIIQSYKDIINRNTWRK
Complex: UD1_A_2(4NES) / Model_3(4NES/A) = [8.2] Download1158.258.81MEKLKLMTIVGTRPEIIRLSSTIKACDQYFNQILVHTGQNYDYTLNQIFFDDLELRQPDHYLEAVGSNLGETMGNIIAKTYDVLLREQPDALLILGDTNSCLAAVSAKRLKIPVFHMEAGNRCFDQNVPEEINRKIVDHVSDVNLPYTEHSRRYLLDEGFNKANIFVTGSPMTEVIEAHRDKINHSDVLNKLGLEPQQYILVSAHREENIDNEKNFKSLMNAINDIAKKYKMPVIYSTHPRSWKKIEESKFEFDPLVKQLKPFGFFDYNALQKDAFVVLSDSGTLSEESSILKFPGVLIRTSTERPEVLDKGTVIVGGITYNNLIQSVELAREMQNNNEPMIDAIDYKDTNVSTKVVKIIQSYKDIINRNTWRK
Consensus
[pKd Mean = 5.85]
-844
(s=313)
0
(s=8)
MEKLKLMTIVGTRPEIIRLSSTIKACDQYFNQILVHTGQNYDYTLNQIFFDDLELRQPDHYLEAVGSNLGETMGNIIAKTYDVLLREQPDALLILGDTNSCLAAVSAKRLKIPVFHMEAGNRCFDQNVPEEINRKIVDHVSDVNLPYTEHSRRYLLDEGFNKANIFVTGSPMTEVIEAHRDKINHSDVLNKLGLEPQQYILVSAHREENIDNEKNFKSLMNAINDIAKKYKMPVIYSTHPRSWKKIEESKFEFDPLVKQLKPFGFFDYNALQKDAFVVLSDSGTLSEESSILKFPGVLIRTSTERPEVLDKGTVIVGGITYNNLIQSVELAREMQNNNEPMIDAIDYKDTNVSTKVVKIIQSYKDIINRNTWRK