Study : bsu09120 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C5_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 C5_S1
Complex: C2E_B_16(2V0N) / Model_22(2V0N/B) = [4.0] Download1267.10-3.50MLKELFVNLTILITFNYLFTHLFKERLVHKKDSISFQAVKGLACGLLGVILMVFGFTYQHSIIDLRNIPIMIAALYGGWVSTATALAMITAGRLLITMNTSALYSVIIICIAAIPSLIVSRRKKVQLKHAFYLLIITNSLISFSFYFLIDLHSYELHLYFWIISIAGGMLSLYIIDHETNAHLLFKQYKFQAHFDFLTGVYNRRKFEETTKALYQQAADTPHFQFALIYMDIDHFKTINDQYGHHEGDQVLKELGLRLKQTIRNTDPAARIGGEEFAVLLPNCSLDKAARIAERIRSTVSDAPIVLTNGDELSVTISLGAAHYPNNTEQPGSLPILADQMLYKAKETGRNRVCFSEKKE
Complex: C2E_B_12(2WB4) / Model_21(2WB4/B) = [4.0] Download1684.14-3.50MLKELFVNLTILITFNYLFTHLFKERLVHKKDSISFQAVKGLACGLLGVILMVFGFTYQHSIIDLRNIPIMIAALYGGWVSTATALAMITAGRLLITMNTSALYSVIIICIAAIPSLIVSRRKKVQLKHAFYLLIITNSLISFSFYFLIDLHSYELHLYFWIISIAGGMLSLYIIDHETNAHLLFKQYKFQAHFDFLTGVYNRRKFEETTKALYQQAADTPHFQFALIYMDIDHFKTINDQYGHHEGDQVLKELGLRLKQTIRNTDPAARIGGEEFAVLLPNCSLDKAARIAERIRSTVSDAPIVLTNGDELSVTISLGAAHYPNNTEQPGSLPILADQMLYKAKETGRNRVCFSEKKE
Consensus
[pKd Mean = 4.00]
-1475
(s=208)
-3
(s=0)
MLKELFVNLTILITFNYLFTHLFKERLVHKKDSISFQAVKGLACGLLGVILMVFGFTYQHSIIDLRNIPIMIAALYGGWVSTATALAMITAGRLLITMNTSALYSVIIICIAAIPSLIVSRRKKVQLKHAFYLLIITNSLISFSFYFLIDLHSYELHLYFWIISIAGGMLSLYIIDHETNAHLLFKQYKFQAHFDFLTGVYNRRKFEETTKALYQQAADTPHFQFALIYMDIDHFKTINDQYGHHEGDQVLKELGLRLKQTIRNTDPAARIGGEEFAVLLPNCSLDKAARIAERIRSTVSDAPIVLTNGDELSVTISLGAAHYPNNTEQPGSLPILADQMLYKAKETGRNRVCFSEKKE