Study : bsu40740 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ACO_A_4(3PP9) / Model_34(3PP9/A) = [11.2] Download2075.0312.77MIMKMTHLNMKDFNKPNEPFVVFGRMIPAFENGVWTYTEERFSKPYFKQYEDDDMDVSYVEEEGKAAFLYYLENNCIGRIKIRSNWNGYALIEDIAVAKDYRKKGVGTALLHKAIEWAKENHFCGLMLETQDINISACHFYAKHHFIIGAVDTMLYSNFPTANEIAIFWYYKF
Complex: ACO_A_4(3PP9) / Model_1(3PP9/A) = [12.2] Download1856.8917.77MIMKMTHLNMKDFNKPNEPFVVFGRMIPAFENGVWTYTEERFSKPYFKQYEDDDMDVSYVEEEGKAAFLYYLENNCIGRIKIRSNWNGYALIEDIAVAKDYRKKGVGTALLHKAIEWAKENHFCGLMLETQDINISACHFYAKHHFIIGAVDTMLYSNFPTANEIAIFWYYKF
Consensus
[pKd Mean = 11.70]
-1965
(s=109)
15
(s=2)
MIMKMTHLNMKDFNKPNEPFVVFGRMIPAFENGVWTYTEERFSKPYFKQYEDDDMDVSYVEEEGKAAFLYYLENNCIGRIKIRSNWNGYALIEDIAVAKDYRKKGVGTALLHKAIEWAKENHFCGLMLETQDINISACHFYAKHHFIIGAVDTMLYSNFPTANEIAIFWYYKF