Study : jhp_0388 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C11_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C11_S1
Complex: GSY_B_4(4AD6) / Model_23(4AD6/B) = [3.4] Download815.7525.59MMREILTNRFFPSLFKKRLDFSNRVVLGLGSNLKNPLKILKSCFLYFKNHSKIGKIFSSPIYINPPFGYTNQPNFYNATIILKTSLGLRHFFALVFYIERRFGRARKRDFKDAPRTLDIDIIAFNQVILRQNDLTLPHPKWSERDSVLVPLTLQQILFKREEW
Complex: PH2_A_9(2QX0) / Model_65(2QX0/A) = [3.8] Download793.0117.18MMREILTNRFFPSLFKKRLDFSNRVVLGLGSNLKNPLKILKSCFLYFKNHSKIGKIFSSPIYINPPFGYTNQPNFYNATIILKTSLGLRHFFALVFYIERRFGRARKRDFKDAPRTLDIDIIAFNQVILRQNDLTLPHPKWSERDSVLVPLTLQQILFKREEW
Consensus
[pKd Mean = 3.60]
-804
(s=11)
21
(s=4)
MMREILTNRFFPSLFKKRLDFSNRVVLGLGSNLKNPLKILKSCFLYFKNHSKIGKIFSSPIYINPPFGYTNQPNFYNATIILKTSLGLRHFFALVFYIERRFGRARKRDFKDAPRTLDIDIIAFNQVILRQNDLTLPHPKWSERDSVLVPLTLQQILFKREEW