Study : jhp_1017 (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: SAH_A_2(4O29) / Model_2(4O29/A) = [6.6] Download637.6629.06MNSIKNHLMCEEIHKRFNLHPKVREAMESIEREVFVPAPFKHFAYTLNALSMQAQQYISSPLTVAKMTQYLEIDHVDSVLEIGCGSGYQAAVLSQIFRRVFSIERIESLYIEARLRLKTLGLDNVHVKFADGNKGWERYAPYDRILFSACAKNIPQALIDQLEEGGILVAPIQENNEQVIKRFVKQNNALRVQKVLEKCLFVPVVDGVQ
Complex: SAH_D_14(3LBF) / Model_21(3LBF/D) = [7.0] Download575.3430.32MNSIKNHLMCEEIHKRFNLHPKVREAMESIEREVFVPAPFKHFAYTLNALSMQAQQYISSPLTVAKMTQYLEIDHVDSVLEIGCGSGYQAAVLSQIFRRVFSIERIESLYIEARLRLKTLGLDNVHVKFADGNKGWERYAPYDRILFSACAKNIPQALIDQLEEGGILVAPIQENNEQVIKRFVKQNNALRVQKVLEKCLFVPVVDGVQ
Complex: SAH_B_10(3LBF) / Model_23(3LBF/B) = [7.6] Download594.1330.23MNSIKNHLMCEEIHKRFNLHPKVREAMESIEREVFVPAPFKHFAYTLNALSMQAQQYISSPLTVAKMTQYLEIDHVDSVLEIGCGSGYQAAVLSQIFRRVFSIERIESLYIEARLRLKTLGLDNVHVKFADGNKGWERYAPYDRILFSACAKNIPQALIDQLEEGGILVAPIQENNEQVIKRFVKQNNALRVQKVLEKCLFVPVVDGVQ
Complex: SAH_A_5(3LBF) / Model_31(3LBF/A) = [8.2] Download612.7326.85MNSIKNHLMCEEIHKRFNLHPKVREAMESIEREVFVPAPFKHFAYTLNALSMQAQQYISSPLTVAKMTQYLEIDHVDSVLEIGCGSGYQAAVLSQIFRRVFSIERIESLYIEARLRLKTLGLDNVHVKFADGNKGWERYAPYDRILFSACAKNIPQALIDQLEEGGILVAPIQENNEQVIKRFVKQNNALRVQKVLEKCLFVPVVDGVQ
Complex: SAH_A_5(3LBF) / Model_1(3LBF/A) = [8.2] Download682.6626.85MNSIKNHLMCEEIHKRFNLHPKVREAMESIEREVFVPAPFKHFAYTLNALSMQAQQYISSPLTVAKMTQYLEIDHVDSVLEIGCGSGYQAAVLSQIFRRVFSIERIESLYIEARLRLKTLGLDNVHVKFADGNKGWERYAPYDRILFSACAKNIPQALIDQLEEGGILVAPIQENNEQVIKRFVKQNNALRVQKVLEKCLFVPVVDGVQ
Consensus
[pKd Mean = 7.52]
-620
(s=37)
28
(s=1)
MNSIKNHLMCEEIHKRFNLHPKVREAMESIEREVFVPAPFKHFAYTLNALSMQAQQYISSPLTVAKMTQYLEIDHVDSVLEIGCGSGYQAAVLSQIFRRVFSIERIESLYIEARLRLKTLGLDNVHVKFADGNKGWERYAPYDRILFSACAKNIPQALIDQLEEGGILVAPIQENNEQVIKRFVKQNNALRVQKVLEKCLFVPVVDGVQ