Study : bsu07880 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: B85_A_2(4Z9B) / Model_7(4Z9B/A) = [3.4] Download461.2312.33MISVLFVCLGNICRSPMAEAIFRDLAAKKGLEGKIKADSAGIGGWHIGNPPHEGTQEILRREGISFDGMLARQVSEQDLDDFDYIIAMDAENIGSLRSMAGFKNTSHIKRLLDYVEDSDLADVPDPYYTGNFEEVCQLIKTGCEQLLASIQKEKQL
Complex: 4NP_D_4(1D1Q) / Model_41(1D1Q/A) = [3.7] Download484.011.73MISVLFVCLGNICRSPMAEAIFRDLAAKKGLEGKIKADSAGIGGWHIGNPPHEGTQEILRREGISFDGMLARQVSEQDLDDFDYIIAMDAENIGSLRSMAGFKNTSHIKRLLDYVEDSDLADVPDPYYTGNFEEVCQLIKTGCEQLLASIQKEKQL
Complex: CHAIN_B_2(3ROF) / Model_2(3ROF/A) = [3.8] Download--MISVLFVCLGNICRSPMAEAIFRDLAAKKGLEGKIKADSAGIGGWHIGNPPHEGTQEILRREGISFDGMLARQVSEQDLDDFDYIIAMDAENIGSLRSMAGFKNTSHIKRLLDYVEDSDLADVPDPYYTGNFEEVCQLIKTGCEQLLASIQKEKQL
Complex: CHAIN_B_2(3ROF) / Model_67(3ROF/A) = [3.8] Download--MISVLFVCLGNICRSPMAEAIFRDLAAKKGLEGKIKADSAGIGGWHIGNPPHEGTQEILRREGISFDGMLARQVSEQDLDDFDYIIAMDAENIGSLRSMAGFKNTSHIKRLLDYVEDSDLADVPDPYYTGNFEEVCQLIKTGCEQLLASIQKEKQL
Complex: EPE_A_3(3JS5) / Model_32(3JS5/A) = [4.5] Download624.7212.33MISVLFVCLGNICRSPMAEAIFRDLAAKKGLEGKIKADSAGIGGWHIGNPPHEGTQEILRREGISFDGMLARQVSEQDLDDFDYIIAMDAENIGSLRSMAGFKNTSHIKRLLDYVEDSDLADVPDPYYTGNFEEVCQLIKTGCEQLLASIQKEKQL
Consensus
[pKd Mean = 3.84]
-523
(s=72)
8
(s=5)
MISVLFVCLGNICRSPMAEAIFRDLAAKKGLEGKIKADSAGIGGWHIGNPPHEGTQEILRREGISFDGMLARQVSEQDLDDFDYIIAMDAENIGSLRSMAGFKNTSHIKRLLDYVEDSDLADVPDPYYTGNFEEVCQLIKTGCEQLLASIQKEKQL