Study : jhp_0865 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C10_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 C10_S1
Complex: EDO_A_3(4G9O) / Model_5(4G9O/A) = [3.1] Download142.6616.31MKKILLTNDDGYHAKGIKALEQALENMAEIYVVAPKHEKSACSQCITITAPLRAEKIKGKEGRHYRIDDGTPSDCVYLAINELFKHVCFDLVISGINLGSNMGEDTIYSGTVAGAIEGTIQGVPSIAISQILSNKNKNTPLSFDLAQKIIQDLVQNVFTKGYPLKGRKLLNVNVPNCSLQEYKGERITPKGYRLYKKEVHKRTDPKNESYFWLGLHPLKWQKRENEDRLSDFDAIASNHASITPLNLDLTSYDDLKSLESWHEGMLK
Complex: EDO_B_9(4G9O) / Model_28(4G9O/B) = [3.3] Download349.1911.50MKKILLTNDDGYHAKGIKALEQALENMAEIYVVAPKHEKSACSQCITITAPLRAEKIKGKEGRHYRIDDGTPSDCVYLAINELFKHVCFDLVISGINLGSNMGEDTIYSGTVAGAIEGTIQGVPSIAISQILSNKNKNTPLSFDLAQKIIQDLVQNVFTKGYPLKGRKLLNVNVPNCSLQEYKGERITPKGYRLYKKEVHKRTDPKNESYFWLGLHPLKWQKRENEDRLSDFDAIASNHASITPLNLDLTSYDDLKSLESWHEGMLK
Consensus
[pKd Mean = 3.20]
-245
(s=103)
13
(s=2)
MKKILLTNDDGYHAKGIKALEQALENMAEIYVVAPKHEKSACSQCITITAPLRAEKIKGKEGRHYRIDDGTPSDCVYLAINELFKHVCFDLVISGINLGSNMGEDTIYSGTVAGAIEGTIQGVPSIAISQILSNKNKNTPLSFDLAQKIIQDLVQNVFTKGYPLKGRKLLNVNVPNCSLQEYKGERITPKGYRLYKKEVHKRTDPKNESYFWLGLHPLKWQKRENEDRLSDFDAIASNHASITPLNLDLTSYDDLKSLESWHEGMLK