Study : bsu28030 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ADP_A_3(4CZL) / Model_8(4CZL/A) = [5.5] Download749.9914.45MFGIGARDLGIDLGTANTLVFVKGKGIVVREPSVVALQTDTKSIVAVGNDAKNMIGRTPGNVVALRPMKDGVIADYETTATMMKYYINQAIKNKGMFARKPYVMVCVPSGITAVEERAVIDATRQAGARDAYPIEEPFAAAIGANLPVWEPTGSMVVDIGGGTTEVAIISLGGIVTSQSIRVAGDEMDDAIINYIRKTYNLMIGDRTAEAIKMEIGSAEAPEESDNMEIRGRDLLTGLPKTIEITGKEISNALRDTVSTIVEAVKSTLEKTPPELAADIMDRGIVLTGGGALLRNLDKVISEETKMPVLIAEDPLDCVAIGTGKALEHIHLFKGKTR
Complex: ANP_A_4(4CZJ) / Model_6(4CZJ/A) = [6.4] Download1140.6013.57MFGIGARDLGIDLGTANTLVFVKGKGIVVREPSVVALQTDTKSIVAVGNDAKNMIGRTPGNVVALRPMKDGVIADYETTATMMKYYINQAIKNKGMFARKPYVMVCVPSGITAVEERAVIDATRQAGARDAYPIEEPFAAAIGANLPVWEPTGSMVVDIGGGTTEVAIISLGGIVTSQSIRVAGDEMDDAIINYIRKTYNLMIGDRTAEAIKMEIGSAEAPEESDNMEIRGRDLLTGLPKTIEITGKEISNALRDTVSTIVEAVKSTLEKTPPELAADIMDRGIVLTGGGALLRNLDKVISEETKMPVLIAEDPLDCVAIGTGKALEHIHLFKGKTR
Complex: ADP_A_3(4CZH) / Model_4(4CZH/A) = [6.6] Download994.6013.97MFGIGARDLGIDLGTANTLVFVKGKGIVVREPSVVALQTDTKSIVAVGNDAKNMIGRTPGNVVALRPMKDGVIADYETTATMMKYYINQAIKNKGMFARKPYVMVCVPSGITAVEERAVIDATRQAGARDAYPIEEPFAAAIGANLPVWEPTGSMVVDIGGGTTEVAIISLGGIVTSQSIRVAGDEMDDAIINYIRKTYNLMIGDRTAEAIKMEIGSAEAPEESDNMEIRGRDLLTGLPKTIEITGKEISNALRDTVSTIVEAVKSTLEKTPPELAADIMDRGIVLTGGGALLRNLDKVISEETKMPVLIAEDPLDCVAIGTGKALEHIHLFKGKTR
Complex: ADP_A_3(4CZG) / Model_3(4CZG/A) = [7.0] Download1056.5811.91MFGIGARDLGIDLGTANTLVFVKGKGIVVREPSVVALQTDTKSIVAVGNDAKNMIGRTPGNVVALRPMKDGVIADYETTATMMKYYINQAIKNKGMFARKPYVMVCVPSGITAVEERAVIDATRQAGARDAYPIEEPFAAAIGANLPVWEPTGSMVVDIGGGTTEVAIISLGGIVTSQSIRVAGDEMDDAIINYIRKTYNLMIGDRTAEAIKMEIGSAEAPEESDNMEIRGRDLLTGLPKTIEITGKEISNALRDTVSTIVEAVKSTLEKTPPELAADIMDRGIVLTGGGALLRNLDKVISEETKMPVLIAEDPLDCVAIGTGKALEHIHLFKGKTR
Complex: ANP_A_3(1JCG) / Model_11(1JCG/A) = [7.1] Download1023.5014.67MFGIGARDLGIDLGTANTLVFVKGKGIVVREPSVVALQTDTKSIVAVGNDAKNMIGRTPGNVVALRPMKDGVIADYETTATMMKYYINQAIKNKGMFARKPYVMVCVPSGITAVEERAVIDATRQAGARDAYPIEEPFAAAIGANLPVWEPTGSMVVDIGGGTTEVAIISLGGIVTSQSIRVAGDEMDDAIINYIRKTYNLMIGDRTAEAIKMEIGSAEAPEESDNMEIRGRDLLTGLPKTIEITGKEISNALRDTVSTIVEAVKSTLEKTPPELAADIMDRGIVLTGGGALLRNLDKVISEETKMPVLIAEDPLDCVAIGTGKALEHIHLFKGKTR
Consensus
[pKd Mean = 6.52]
-993
(s=131)
13
(s=1)
MFGIGARDLGIDLGTANTLVFVKGKGIVVREPSVVALQTDTKSIVAVGNDAKNMIGRTPGNVVALRPMKDGVIADYETTATMMKYYINQAIKNKGMFARKPYVMVCVPSGITAVEERAVIDATRQAGARDAYPIEEPFAAAIGANLPVWEPTGSMVVDIGGGTTEVAIISLGGIVTSQSIRVAGDEMDDAIINYIRKTYNLMIGDRTAEAIKMEIGSAEAPEESDNMEIRGRDLLTGLPKTIEITGKEISNALRDTVSTIVEAVKSTLEKTPPELAADIMDRGIVLTGGGALLRNLDKVISEETKMPVLIAEDPLDCVAIGTGKALEHIHLFKGKTR