Study : SA2260 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAI_A_5(4NBU) / Model_1(4NBU/A) = [11.4] Download1329.1023.81MKRLENKVAVVTGASTGIGQASAIALAQEGAYVLAVDIAEAVSETVDKIKSNGDNAKAYNVDISDEQQVVDFVSDIKEQFGRIDVLFNNAGVDNAAGRIHEYPIDVYDKIMNVDMRGTILMTKMMLPLMMNQGGSIVNTSSFSGQAEDLYRSGYNAAKGAVINFTKSIAIEYGRDGIRSNAIAPGTIETPLVDKLTGTSEDDAGKTFRENQKWMTPLGRLGKPEEVAKLVVFLASDDSSFITGETIRIDGGVMAYTWPGEMLSDDSWKRTLE
Complex: NAI_D_9(4NBU) / Model_21(4NBU/D) = [11.7] Download1307.4123.11MKRLENKVAVVTGASTGIGQASAIALAQEGAYVLAVDIAEAVSETVDKIKSNGDNAKAYNVDISDEQQVVDFVSDIKEQFGRIDVLFNNAGVDNAAGRIHEYPIDVYDKIMNVDMRGTILMTKMMLPLMMNQGGSIVNTSSFSGQAEDLYRSGYNAAKGAVINFTKSIAIEYGRDGIRSNAIAPGTIETPLVDKLTGTSEDDAGKTFRENQKWMTPLGRLGKPEEVAKLVVFLASDDSSFITGETIRIDGGVMAYTWPGEMLSDDSWKRTLE
Complex: NAI_C_8(4NBU) / Model_22(4NBU/C) = [11.8] Download1347.6922.49MKRLENKVAVVTGASTGIGQASAIALAQEGAYVLAVDIAEAVSETVDKIKSNGDNAKAYNVDISDEQQVVDFVSDIKEQFGRIDVLFNNAGVDNAAGRIHEYPIDVYDKIMNVDMRGTILMTKMMLPLMMNQGGSIVNTSSFSGQAEDLYRSGYNAAKGAVINFTKSIAIEYGRDGIRSNAIAPGTIETPLVDKLTGTSEDDAGKTFRENQKWMTPLGRLGKPEEVAKLVVFLASDDSSFITGETIRIDGGVMAYTWPGEMLSDDSWKRTLE
Consensus
[pKd Mean = 11.63]
-1328
(s=16)
23
(s=0)
MKRLENKVAVVTGASTGIGQASAIALAQEGAYVLAVDIAEAVSETVDKIKSNGDNAKAYNVDISDEQQVVDFVSDIKEQFGRIDVLFNNAGVDNAAGRIHEYPIDVYDKIMNVDMRGTILMTKMMLPLMMNQGGSIVNTSSFSGQAEDLYRSGYNAAKGAVINFTKSIAIEYGRDGIRSNAIAPGTIETPLVDKLTGTSEDDAGKTFRENQKWMTPLGRLGKPEEVAKLVVFLASDDSSFITGETIRIDGGVMAYTWPGEMLSDDSWKRTLE