Study : bsu12370 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: NACID_B_1(2PUF) / Model_19(2PUF/A) = [3.3] Download--MVTIKDIAKLANVSHTTVSRALNNSPYIKEHTKKKILELAEQLNYTPNVNAKSLAMQKSHTIGLFFTSITNGTSHSFFADTIKGVNQAISEDYNLYVRGIDDLKNYDSVTPMRYDGIILMSQSDIDNSFIYHIREKNIPLVVLNRDIDDRTITNILSNDKEGSQEAVEYFIQSGHQDIAIIEGIEGFKSSQQRKEGYLSALIQHHIPIKHEYSVKGQYDMESGFQAMERLLALPNPPTAVFCSNDDMAIGAMNAIFAKGLRVPDDISVIGFDDIGFSQYITPRLSTVKRPVEKISVLGAQKLLSLISEPETKAEKILENTEFMVRDSVRRLTT
Complex: NACID_B_1(1JH9) / Model_1(1JH9/A) = [3.4] Download--MVTIKDIAKLANVSHTTVSRALNNSPYIKEHTKKKILELAEQLNYTPNVNAKSLAMQKSHTIGLFFTSITNGTSHSFFADTIKGVNQAISEDYNLYVRGIDDLKNYDSVTPMRYDGIILMSQSDIDNSFIYHIREKNIPLVVLNRDIDDRTITNILSNDKEGSQEAVEYFIQSGHQDIAIIEGIEGFKSSQQRKEGYLSALIQHHIPIKHEYSVKGQYDMESGFQAMERLLALPNPPTAVFCSNDDMAIGAMNAIFAKGLRVPDDISVIGFDDIGFSQYITPRLSTVKRPVEKISVLGAQKLLSLISEPETKAEKILENTEFMVRDSVRRLTT
Complex: NACID_B_1(2PUE) / Model_18(2PUE/A) = [3.6] Download--MVTIKDIAKLANVSHTTVSRALNNSPYIKEHTKKKILELAEQLNYTPNVNAKSLAMQKSHTIGLFFTSITNGTSHSFFADTIKGVNQAISEDYNLYVRGIDDLKNYDSVTPMRYDGIILMSQSDIDNSFIYHIREKNIPLVVLNRDIDDRTITNILSNDKEGSQEAVEYFIQSGHQDIAIIEGIEGFKSSQQRKEGYLSALIQHHIPIKHEYSVKGQYDMESGFQAMERLLALPNPPTAVFCSNDDMAIGAMNAIFAKGLRVPDDISVIGFDDIGFSQYITPRLSTVKRPVEKISVLGAQKLLSLISEPETKAEKILENTEFMVRDSVRRLTT
Complex: NACID_B_1(2PUB) / Model_7(2PUB/A) = [4.0] Download--MVTIKDIAKLANVSHTTVSRALNNSPYIKEHTKKKILELAEQLNYTPNVNAKSLAMQKSHTIGLFFTSITNGTSHSFFADTIKGVNQAISEDYNLYVRGIDDLKNYDSVTPMRYDGIILMSQSDIDNSFIYHIREKNIPLVVLNRDIDDRTITNILSNDKEGSQEAVEYFIQSGHQDIAIIEGIEGFKSSQQRKEGYLSALIQHHIPIKHEYSVKGQYDMESGFQAMERLLALPNPPTAVFCSNDDMAIGAMNAIFAKGLRVPDDISVIGFDDIGFSQYITPRLSTVKRPVEKISVLGAQKLLSLISEPETKAEKILENTEFMVRDSVRRLTT
Complex: NACID_B_1(2PUC) / Model_8(2PUC/A) = [4.0] Download--MVTIKDIAKLANVSHTTVSRALNNSPYIKEHTKKKILELAEQLNYTPNVNAKSLAMQKSHTIGLFFTSITNGTSHSFFADTIKGVNQAISEDYNLYVRGIDDLKNYDSVTPMRYDGIILMSQSDIDNSFIYHIREKNIPLVVLNRDIDDRTITNILSNDKEGSQEAVEYFIQSGHQDIAIIEGIEGFKSSQQRKEGYLSALIQHHIPIKHEYSVKGQYDMESGFQAMERLLALPNPPTAVFCSNDDMAIGAMNAIFAKGLRVPDDISVIGFDDIGFSQYITPRLSTVKRPVEKISVLGAQKLLSLISEPETKAEKILENTEFMVRDSVRRLTT
Consensus
[pKd Mean = 3.66]
-0
(s=0)
0
(s=0)
MVTIKDIAKLANVSHTTVSRALNNSPYIKEHTKKKILELAEQLNYTPNVNAKSLAMQKSHTIGLFFTSITNGTSHSFFADTIKGVNQAISEDYNLYVRGIDDLKNYDSVTPMRYDGIILMSQSDIDNSFIYHIREKNIPLVVLNRDIDDRTITNILSNDKEGSQEAVEYFIQSGHQDIAIIEGIEGFKSSQQRKEGYLSALIQHHIPIKHEYSVKGQYDMESGFQAMERLLALPNPPTAVFCSNDDMAIGAMNAIFAKGLRVPDDISVIGFDDIGFSQYITPRLSTVKRPVEKISVLGAQKLLSLISEPETKAEKILENTEFMVRDSVRRLTT