Study : Wbm0445 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: GLU_A_3(2CFO) / Model_46(2CFO/A) = [3.2] Download18724.1226.35MLTRFAPSPTGYLHVGNARTALVCWMYTRSQNGKFLLRFDDTDLQRSDVKHIDSIVQDLRWICIDWDVIFKQSERFKHYNEVFLQLITKGHIYACYETKEELDIKRKLQLKHGLPPVYDRSALLLTEQEKFCYEQEGRKPHFRFKLDRNEVVKWNDEVKGEINIATSSISDPVVKREDGIYTYMLPSVIDDVDFNVTHVIRGEDHVTNTAVQIQMIQALEAKVPVFAHLPLLHFDDSKISKRKGGLDIKSIKENEIEPMALASYLIKLGTSDPIEAYVNMQSLIDSFDIKKFGSASAQFNLSEIHKLNSKVLQQMPFEMVKERLSQIGVNSPEFWYFIRNNIEKFSEVAEWWQICKSNIEPVVLDKEFIKIVLDALPQGDCNENTLSEWVKAIQQTVDIKLKDLFMQLRLALTGAKTGPELAKLLIFIGKENIIARLKKY
Complex: GLU_A_4(4GRI) / Model_3(4GRI/A) = [3.6] Download17789.2526.01MLTRFAPSPTGYLHVGNARTALVCWMYTRSQNGKFLLRFDDTDLQRSDVKHIDSIVQDLRWICIDWDVIFKQSERFKHYNEVFLQLITKGHIYACYETKEELDIKRKLQLKHGLPPVYDRSALLLTEQEKFCYEQEGRKPHFRFKLDRNEVVKWNDEVKGEINIATSSISDPVVKREDGIYTYMLPSVIDDVDFNVTHVIRGEDHVTNTAVQIQMIQALEAKVPVFAHLPLLHFDDSKISKRKGGLDIKSIKENEIEPMALASYLIKLGTSDPIEAYVNMQSLIDSFDIKKFGSASAQFNLSEIHKLNSKVLQQMPFEMVKERLSQIGVNSPEFWYFIRNNIEKFSEVAEWWQICKSNIEPVVLDKEFIKIVLDALPQGDCNENTLSEWVKAIQQTVDIKLKDLFMQLRLALTGAKTGPELAKLLIFIGKENIIARLKKY
Complex: GSU_A_2(3AFH) / Model_6(3AFH/A) = [6.0] Download959.4515.91MLTRFAPSPTGYLHVGNARTALVCWMYTRSQNGKFLLRFDDTDLQRSDVKHIDSIVQDLRWICIDWDVIFKQSERFKHYNEVFLQLITKGHIYACYETKEELDIKRKLQLKHGLPPVYDRSALLLTEQEKFCYEQEGRKPHFRFKLDRNEVVKWNDEVKGEINIATSSISDPVVKREDGIYTYMLPSVIDDVDFNVTHVIRGEDHVTNTAVQIQMIQALEAKVPVFAHLPLLHFDDSKISKRKGGLDIKSIKENEIEPMALASYLIKLGTSDPIEAYVNMQSLIDSFDIKKFGSASAQFNLSEIHKLNSKVLQQMPFEMVKERLSQIGVNSPEFWYFIRNNIEKFSEVAEWWQICKSNIEPVVLDKEFIKIVLDALPQGDCNENTLSEWVKAIQQTVDIKLKDLFMQLRLALTGAKTGPELAKLLIFIGKENIIARLKKY
Complex: ATP_A_3(1N75) / Model_11(1N75/A) = [6.7] Download1163.1521.85MLTRFAPSPTGYLHVGNARTALVCWMYTRSQNGKFLLRFDDTDLQRSDVKHIDSIVQDLRWICIDWDVIFKQSERFKHYNEVFLQLITKGHIYACYETKEELDIKRKLQLKHGLPPVYDRSALLLTEQEKFCYEQEGRKPHFRFKLDRNEVVKWNDEVKGEINIATSSISDPVVKREDGIYTYMLPSVIDDVDFNVTHVIRGEDHVTNTAVQIQMIQALEAKVPVFAHLPLLHFDDSKISKRKGGLDIKSIKENEIEPMALASYLIKLGTSDPIEAYVNMQSLIDSFDIKKFGSASAQFNLSEIHKLNSKVLQQMPFEMVKERLSQIGVNSPEFWYFIRNNIEKFSEVAEWWQICKSNIEPVVLDKEFIKIVLDALPQGDCNENTLSEWVKAIQQTVDIKLKDLFMQLRLALTGAKTGPELAKLLIFIGKENIIARLKKY
Complex: ATP_A_4(1J09) / Model_10(1J09/A) = [7.0] Download1362.0119.33MLTRFAPSPTGYLHVGNARTALVCWMYTRSQNGKFLLRFDDTDLQRSDVKHIDSIVQDLRWICIDWDVIFKQSERFKHYNEVFLQLITKGHIYACYETKEELDIKRKLQLKHGLPPVYDRSALLLTEQEKFCYEQEGRKPHFRFKLDRNEVVKWNDEVKGEINIATSSISDPVVKREDGIYTYMLPSVIDDVDFNVTHVIRGEDHVTNTAVQIQMIQALEAKVPVFAHLPLLHFDDSKISKRKGGLDIKSIKENEIEPMALASYLIKLGTSDPIEAYVNMQSLIDSFDIKKFGSASAQFNLSEIHKLNSKVLQQMPFEMVKERLSQIGVNSPEFWYFIRNNIEKFSEVAEWWQICKSNIEPVVLDKEFIKIVLDALPQGDCNENTLSEWVKAIQQTVDIKLKDLFMQLRLALTGAKTGPELAKLLIFIGKENIIARLKKY
Consensus
[pKd Mean = 5.30]
-7999
(s=8381)
21
(s=4)
MLTRFAPSPTGYLHVGNARTALVCWMYTRSQNGKFLLRFDDTDLQRSDVKHIDSIVQDLRWICIDWDVIFKQSERFKHYNEVFLQLITKGHIYACYETKEELDIKRKLQLKHGLPPVYDRSALLLTEQEKFCYEQEGRKPHFRFKLDRNEVVKWNDEVKGEINIATSSISDPVVKREDGIYTYMLPSVIDDVDFNVTHVIRGEDHVTNTAVQIQMIQALEAKVPVFAHLPLLHFDDSKISKRKGGLDIKSIKENEIEPMALASYLIKLGTSDPIEAYVNMQSLIDSFDIKKFGSASAQFNLSEIHKLNSKVLQQMPFEMVKERLSQIGVNSPEFWYFIRNNIEKFSEVAEWWQICKSNIEPVVLDKEFIKIVLDALPQGDCNENTLSEWVKAIQQTVDIKLKDLFMQLRLALTGAKTGPELAKLLIFIGKENIIARLKKY