Study : Lmo1749 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: SKM_A_2(2IYS) / Model_17(2IYS/A) = [3.1] Download545.15-2.33MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLKELATTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQKTAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK
Complex: DHK_A_6(1WE2) / Model_7(1WE2/A) = [3.1] Download443.2617.75MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLKELATTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQKTAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK
Complex: SKM_C_3(1ZYU) / Model_8(1ZYU/A) = [3.1] Download529.3317.52MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLKELATTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQKTAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK
Complex: SKM_A_6(1U8A) / Model_6(1U8A/A) = [3.2] Download477.0316.13MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLKELATTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQKTAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK
Complex: SKM_A_7(2G1K) / Model_10(2G1K/A) = [3.3] Download495.5913.45MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLKELATTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQKTAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK
Consensus
[pKd Mean = 3.16]
-498
(s=36)
12
(s=7)
MGAGKTTVGNILANLADLPYIDIDEVITSEQGMSVSDIFAKYGEKEFRRLEHEKLKELATTKAVIATGGGIVLNPENREVLKNTYPVIYLETDPEVFMNRLKGDTTRPLVQQKTAEEIRAIFEPRIAHYQDSADFIVNTDNRNQQEVAQTILTMLDK