Study : D2Q2U7_KRIFD (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: GOL_A_7(4WH3) / Model_31(4WH3/A) = [3.5] Download613.9621.50MLWEPVEPEGALRERFGLLGFDGASDWVAEVLAEVWGIAVEGCDRVVISDANAIVWMRTEQGRLVVKWSRAEQRFEELAASARLLGALAARGVPVAAPVPAVDGRTRVVLGGPSGKLSVAVLPEIDGDWLDVGDEAAVHAAGACLASLHHALAEYADADPAVSHGATGDSGEDLRERLTKWLATDDRGVTLAASQRLAAAVAALPPLDTREQLVHNDYRAANLLTRDSAVVGILDFDEIARQHPVHDLAKAFVYLSTLFTEWKPTAPGVRRTFLAGYESVRRLSPAEHAWLETLALWVGIQAVPTGDDPAGWAKAL
Complex: ADN_A_5(2Q83) / Model_26(2Q83/A) = [3.7] Download838.4335.90MLWEPVEPEGALRERFGLLGFDGASDWVAEVLAEVWGIAVEGCDRVVISDANAIVWMRTEQGRLVVKWSRAEQRFEELAASARLLGALAARGVPVAAPVPAVDGRTRVVLGGPSGKLSVAVLPEIDGDWLDVGDEAAVHAAGACLASLHHALAEYADADPAVSHGATGDSGEDLRERLTKWLATDDRGVTLAASQRLAAAVAALPPLDTREQLVHNDYRAANLLTRDSAVVGILDFDEIARQHPVHDLAKAFVYLSTLFTEWKPTAPGVRRTFLAGYESVRRLSPAEHAWLETLALWVGIQAVPTGDDPAGWAKAL
Consensus
[pKd Mean = 3.60]
-726
(s=112)
28
(s=7)
MLWEPVEPEGALRERFGLLGFDGASDWVAEVLAEVWGIAVEGCDRVVISDANAIVWMRTEQGRLVVKWSRAEQRFEELAASARLLGALAARGVPVAAPVPAVDGRTRVVLGGPSGKLSVAVLPEIDGDWLDVGDEAAVHAAGACLASLHHALAEYADADPAVSHGATGDSGEDLRERLTKWLATDDRGVTLAASQRLAAAVAALPPLDTREQLVHNDYRAANLLTRDSAVVGILDFDEIARQHPVHDLAKAFVYLSTLFTEWKPTAPGVRRTFLAGYESVRRLSPAEHAWLETLALWVGIQAVPTGDDPAGWAKAL