Study : jhp_1273 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: NTM_Q_17(2B7N) / Model_25(2B7N/C) = [3.4] Download442.04-4.53MEIKTFLECALKEDLGHGDLFERVLEKDFKATAFVRAKQEGVFSGEKYALELLQMTGIECVQNIKDKERFKPKDTLMEIRGDFSMLLKIERTLLNLLQHSSGIATLTSRFVEALNSPKVRLLDTRKTRPLLRIFEKYSVLNGGASNHRLGLDDALMLKDTHLKHVKDLKSFLTHARKNLPFTAKIEIECESFEEAKNAMSAGADIVMCDNMSVGETKEIAAYREAHYPFVLLEASGNISLESINAYAKSGVDAISVGALIHQATFIDMHMKMA
Complex: PHT_A_3(3C2R) / Model_87(3C2R/A) = [3.5] Download394.006.71MEIKTFLECALKEDLGHGDLFERVLEKDFKATAFVRAKQEGVFSGEKYALELLQMTGIECVQNIKDKERFKPKDTLMEIRGDFSMLLKIERTLLNLLQHSSGIATLTSRFVEALNSPKVRLLDTRKTRPLLRIFEKYSVLNGGASNHRLGLDDALMLKDTHLKHVKDLKSFLTHARKNLPFTAKIEIECESFEEAKNAMSAGADIVMCDNMSVGETKEIAAYREAHYPFVLLEASGNISLESINAYAKSGVDAISVGALIHQATFIDMHMKMA
Complex: NTM_M_13(2B7N) / Model_113(2B7N/A) = [3.5] Download446.38-4.53MEIKTFLECALKEDLGHGDLFERVLEKDFKATAFVRAKQEGVFSGEKYALELLQMTGIECVQNIKDKERFKPKDTLMEIRGDFSMLLKIERTLLNLLQHSSGIATLTSRFVEALNSPKVRLLDTRKTRPLLRIFEKYSVLNGGASNHRLGLDDALMLKDTHLKHVKDLKSFLTHARKNLPFTAKIEIECESFEEAKNAMSAGADIVMCDNMSVGETKEIAAYREAHYPFVLLEASGNISLESINAYAKSGVDAISVGALIHQATFIDMHMKMA
Complex: NTM_O_15(2B7N) / Model_26(2B7N/B) = [3.6] Download476.91-4.88MEIKTFLECALKEDLGHGDLFERVLEKDFKATAFVRAKQEGVFSGEKYALELLQMTGIECVQNIKDKERFKPKDTLMEIRGDFSMLLKIERTLLNLLQHSSGIATLTSRFVEALNSPKVRLLDTRKTRPLLRIFEKYSVLNGGASNHRLGLDDALMLKDTHLKHVKDLKSFLTHARKNLPFTAKIEIECESFEEAKNAMSAGADIVMCDNMSVGETKEIAAYREAHYPFVLLEASGNISLESINAYAKSGVDAISVGALIHQATFIDMHMKMA
Complex: PHT_O_15(2B7P) / Model_24(2B7P/B) = [3.7] Download512.92-4.53MEIKTFLECALKEDLGHGDLFERVLEKDFKATAFVRAKQEGVFSGEKYALELLQMTGIECVQNIKDKERFKPKDTLMEIRGDFSMLLKIERTLLNLLQHSSGIATLTSRFVEALNSPKVRLLDTRKTRPLLRIFEKYSVLNGGASNHRLGLDDALMLKDTHLKHVKDLKSFLTHARKNLPFTAKIEIECESFEEAKNAMSAGADIVMCDNMSVGETKEIAAYREAHYPFVLLEASGNISLESINAYAKSGVDAISVGALIHQATFIDMHMKMA
Consensus
[pKd Mean = 3.54]
-454
(s=39)
-2
(s=4)
MEIKTFLECALKEDLGHGDLFERVLEKDFKATAFVRAKQEGVFSGEKYALELLQMTGIECVQNIKDKERFKPKDTLMEIRGDFSMLLKIERTLLNLLQHSSGIATLTSRFVEALNSPKVRLLDTRKTRPLLRIFEKYSVLNGGASNHRLGLDDALMLKDTHLKHVKDLKSFLTHARKNLPFTAKIEIECESFEEAKNAMSAGADIVMCDNMSVGETKEIAAYREAHYPFVLLEASGNISLESINAYAKSGVDAISVGALIHQATFIDMHMKMA