Study : bsu37820 (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: NDP_A_3(1KC3) / Model_6(1KC3/A) = [7.9] Download2111.2026.05MTKVLVTGAGGQLGLELCRQLKQAGYEVIALTKKMMNIADQRSVRHSFGHYQPDIVVNSAAFTSVDQCEKELDKAYLINGIGAYYTALESTRIGAQYVHISTDYVFNGKGTQPYREDDPLDPKTIYGKSKRLGEELIRLTTKDSTIIRTSWVYGHGGSNFVETMLKLAETKQELRVVSDQIGSPTYTKDLAEAVIKLFSHPPGIYHVSNSGICSWYEFATAIMEESGLETAILSVTTEEYGNKTPRPAYSVLSHRAIEEAGIRPRHWREALREYLQERSSACD
Complex: NDP_A_4(1KC1) / Model_5(1KC1/A) = [9.1] Download1837.0730.83MTKVLVTGAGGQLGLELCRQLKQAGYEVIALTKKMMNIADQRSVRHSFGHYQPDIVVNSAAFTSVDQCEKELDKAYLINGIGAYYTALESTRIGAQYVHISTDYVFNGKGTQPYREDDPLDPKTIYGKSKRLGEELIRLTTKDSTIIRTSWVYGHGGSNFVETMLKLAETKQELRVVSDQIGSPTYTKDLAEAVIKLFSHPPGIYHVSNSGICSWYEFATAIMEESGLETAILSVTTEEYGNKTPRPAYSVLSHRAIEEAGIRPRHWREALREYLQERSSACD
Complex: NAD_A_3(1N2S) / Model_46(1N2S/A) = [10.0] Download1726.4529.11MTKVLVTGAGGQLGLELCRQLKQAGYEVIALTKKMMNIADQRSVRHSFGHYQPDIVVNSAAFTSVDQCEKELDKAYLINGIGAYYTALESTRIGAQYVHISTDYVFNGKGTQPYREDDPLDPKTIYGKSKRLGEELIRLTTKDSTIIRTSWVYGHGGSNFVETMLKLAETKQELRVVSDQIGSPTYTKDLAEAVIKLFSHPPGIYHVSNSGICSWYEFATAIMEESGLETAILSVTTEEYGNKTPRPAYSVLSHRAIEEAGIRPRHWREALREYLQERSSACD
Complex: NAD_A_3(1N2S) / Model_7(1N2S/A) = [10.1] Download1611.2428.82MTKVLVTGAGGQLGLELCRQLKQAGYEVIALTKKMMNIADQRSVRHSFGHYQPDIVVNSAAFTSVDQCEKELDKAYLINGIGAYYTALESTRIGAQYVHISTDYVFNGKGTQPYREDDPLDPKTIYGKSKRLGEELIRLTTKDSTIIRTSWVYGHGGSNFVETMLKLAETKQELRVVSDQIGSPTYTKDLAEAVIKLFSHPPGIYHVSNSGICSWYEFATAIMEESGLETAILSVTTEEYGNKTPRPAYSVLSHRAIEEAGIRPRHWREALREYLQERSSACD
Complex: NAI_A_4(1VL0) / Model_1(1VL0/A) = [11.0] Download1678.4926.77MTKVLVTGAGGQLGLELCRQLKQAGYEVIALTKKMMNIADQRSVRHSFGHYQPDIVVNSAAFTSVDQCEKELDKAYLINGIGAYYTALESTRIGAQYVHISTDYVFNGKGTQPYREDDPLDPKTIYGKSKRLGEELIRLTTKDSTIIRTSWVYGHGGSNFVETMLKLAETKQELRVVSDQIGSPTYTKDLAEAVIKLFSHPPGIYHVSNSGICSWYEFATAIMEESGLETAILSVTTEEYGNKTPRPAYSVLSHRAIEEAGIRPRHWREALREYLQERSSACD
Consensus
[pKd Mean = 9.62]
-1792
(s=175)
28
(s=1)
MTKVLVTGAGGQLGLELCRQLKQAGYEVIALTKKMMNIADQRSVRHSFGHYQPDIVVNSAAFTSVDQCEKELDKAYLINGIGAYYTALESTRIGAQYVHISTDYVFNGKGTQPYREDDPLDPKTIYGKSKRLGEELIRLTTKDSTIIRTSWVYGHGGSNFVETMLKLAETKQELRVVSDQIGSPTYTKDLAEAVIKLFSHPPGIYHVSNSGICSWYEFATAIMEESGLETAILSVTTEEYGNKTPRPAYSVLSHRAIEEAGIRPRHWREALREYLQERSSACD