Study : bsu11660 (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: 3NM_D_9(3QH2) / Model_21(3QH2/D) = [3.7] Download802.0414.05MELHAITDDSKPVEELARIIITIQNEVDFIHIRERSKSAADILKLLDLIFEGGIDKRKLVMNGRVDIALFSTIHRVQLPSGSFSPKQIRARFPHLHIGRSVHSLEEAVQAEKEDADYVLFGHVFETDCKKGLEGRGVSLLSDIKQRISIPVIAIGGMTPDRLRDVKQAGADGIAVMSGIFSSAEPLEAARRYSRKLKEMRYEKAL
Complex: 3NM_C_8(3QH2) / Model_22(3QH2/C) = [4.0] Download707.1119.28MELHAITDDSKPVEELARIIITIQNEVDFIHIRERSKSAADILKLLDLIFEGGIDKRKLVMNGRVDIALFSTIHRVQLPSGSFSPKQIRARFPHLHIGRSVHSLEEAVQAEKEDADYVLFGHVFETDCKKGLEGRGVSLLSDIKQRISIPVIAIGGMTPDRLRDVKQAGADGIAVMSGIFSSAEPLEAARRYSRKLKEMRYEKAL
Complex: 3NM_B_7(3QH2) / Model_23(3QH2/B) = [4.1] Download558.5220.80MELHAITDDSKPVEELARIIITIQNEVDFIHIRERSKSAADILKLLDLIFEGGIDKRKLVMNGRVDIALFSTIHRVQLPSGSFSPKQIRARFPHLHIGRSVHSLEEAVQAEKEDADYVLFGHVFETDCKKGLEGRGVSLLSDIKQRISIPVIAIGGMTPDRLRDVKQAGADGIAVMSGIFSSAEPLEAARRYSRKLKEMRYEKAL
Consensus
[pKd Mean = 3.93]
-689
(s=100)
18
(s=2)
MELHAITDDSKPVEELARIIITIQNEVDFIHIRERSKSAADILKLLDLIFEGGIDKRKLVMNGRVDIALFSTIHRVQLPSGSFSPKQIRARFPHLHIGRSVHSLEEAVQAEKEDADYVLFGHVFETDCKKGLEGRGVSLLSDIKQRISIPVIAIGGMTPDRLRDVKQAGADGIAVMSGIFSSAEPLEAARRYSRKLKEMRYEKAL