Study : SA2390 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: FMR_B_4(2EEO) / Model_12(2EEO/B) = [3.9] Download381.3024.10MIRTMMNAKIHRARVTESNLNYVGSITIDSDILEAVDILPNEKVAIVNNNNGARFETYVIAGERGSGKICLNGAASRLVEVGDVVIIMTYAQLNEEEIKNHAPKVAVMNEDNVIIEMIHEKENTIVL
Complex: CHAIN_A_1(3PLX) / Model_9(3PLX/B) = [12.8] Download--MIRTMMNAKIHRARVTESNLNYVGSITIDSDILEAVDILPNEKVAIVNNNNGARFETYVIAGERGSGKICLNGAASRLVEVGDVVIIMTYAQLNEEEIKNHAPKVAVMNEDNVIIEMIHEKENTIVL
Complex: CHAIN_A_1(3PLX) / Model_53(3PLX/B) = [13.2] Download--MIRTMMNAKIHRARVTESNLNYVGSITIDSDILEAVDILPNEKVAIVNNNNGARFETYVIAGERGSGKICLNGAASRLVEVGDVVIIMTYAQLNEEEIKNHAPKVAVMNEDNVIIEMIHEKENTIVL
Complex: CHAIN_B_1(1UHE) / Model_54(1UHE/A) = [19.6] Download--MIRTMMNAKIHRARVTESNLNYVGSITIDSDILEAVDILPNEKVAIVNNNNGARFETYVIAGERGSGKICLNGAASRLVEVGDVVIIMTYAQLNEEEIKNHAPKVAVMNEDNVIIEMIHEKENTIVL
Complex: CHAIN_B_1(1UHE) / Model_13(1UHE/A) = [19.6] Download--MIRTMMNAKIHRARVTESNLNYVGSITIDSDILEAVDILPNEKVAIVNNNNGARFETYVIAGERGSGKICLNGAASRLVEVGDVVIIMTYAQLNEEEIKNHAPKVAVMNEDNVIIEMIHEKENTIVL
Consensus
[pKd Mean = 13.82]
-381
(s=0)
24
(s=0)
MIRTMMNAKIHRARVTESNLNYVGSITIDSDILEAVDILPNEKVAIVNNNNGARFETYVIAGERGSGKICLNGAASRLVEVGDVVIIMTYAQLNEEEIKNHAPKVAVMNEDNVIIEMIHEKENTIVL