Study : bsu13120 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: LAC_C_3(1TJ1) / Model_13(1TJ1/A) = [3.4] Download356.3232.31MLRHVFLFLSQNKTLTKFAKAYGTRLGARRFVAGDTIESAVKTVKRLNRSGLCATIDYLGEYAASEKEANQVAEECKKAIQAIAEHQLDSELSLKLTSIGLDLSEELALTHLRAILSVAKQYDVAVTIDMEDYSHYEQTLSIYRQCKQEFEKLGTVIQAYLYRAAEDIKKMRDLKPNLRLVKGAYKESAAVAFPDKRGTDLHFQSLIKLQLLSGNYTAVATHDDDIIKFTKQLVAEHRIPASQFEFQMLYGIRPERQKELAKEGYRMRVYVPYGTDWFSYFMRRIAERPANAAFVLKGILKK
Complex: TFB_A_3(4JNZ) / Model_17(4JNZ/A) = [3.4] Download435.0422.69MLRHVFLFLSQNKTLTKFAKAYGTRLGARRFVAGDTIESAVKTVKRLNRSGLCATIDYLGEYAASEKEANQVAEECKKAIQAIAEHQLDSELSLKLTSIGLDLSEELALTHLRAILSVAKQYDVAVTIDMEDYSHYEQTLSIYRQCKQEFEKLGTVIQAYLYRAAEDIKKMRDLKPNLRLVKGAYKESAAVAFPDKRGTDLHFQSLIKLQLLSGNYTAVATHDDDIIKFTKQLVAEHRIPASQFEFQMLYGIRPERQKELAKEGYRMRVYVPYGTDWFSYFMRRIAERPANAAFVLKGILKK
Complex: LAC_C_3(1TJ0) / Model_12(1TJ0/A) = [3.4] Download285.5732.31MLRHVFLFLSQNKTLTKFAKAYGTRLGARRFVAGDTIESAVKTVKRLNRSGLCATIDYLGEYAASEKEANQVAEECKKAIQAIAEHQLDSELSLKLTSIGLDLSEELALTHLRAILSVAKQYDVAVTIDMEDYSHYEQTLSIYRQCKQEFEKLGTVIQAYLYRAAEDIKKMRDLKPNLRLVKGAYKESAAVAFPDKRGTDLHFQSLIKLQLLSGNYTAVATHDDDIIKFTKQLVAEHRIPASQFEFQMLYGIRPERQKELAKEGYRMRVYVPYGTDWFSYFMRRIAERPANAAFVLKGILKK
Complex: 2OP_A_3(4O8A) / Model_16(4O8A/A) = [3.5] Download363.8227.87MLRHVFLFLSQNKTLTKFAKAYGTRLGARRFVAGDTIESAVKTVKRLNRSGLCATIDYLGEYAASEKEANQVAEECKKAIQAIAEHQLDSELSLKLTSIGLDLSEELALTHLRAILSVAKQYDVAVTIDMEDYSHYEQTLSIYRQCKQEFEKLGTVIQAYLYRAAEDIKKMRDLKPNLRLVKGAYKESAAVAFPDKRGTDLHFQSLIKLQLLSGNYTAVATHDDDIIKFTKQLVAEHRIPASQFEFQMLYGIRPERQKELAKEGYRMRVYVPYGTDWFSYFMRRIAERPANAAFVLKGILKK
Complex: HYP_A_3(3E2Q) / Model_18(3E2Q/A) = [3.5] Download429.4530.12MLRHVFLFLSQNKTLTKFAKAYGTRLGARRFVAGDTIESAVKTVKRLNRSGLCATIDYLGEYAASEKEANQVAEECKKAIQAIAEHQLDSELSLKLTSIGLDLSEELALTHLRAILSVAKQYDVAVTIDMEDYSHYEQTLSIYRQCKQEFEKLGTVIQAYLYRAAEDIKKMRDLKPNLRLVKGAYKESAAVAFPDKRGTDLHFQSLIKLQLLSGNYTAVATHDDDIIKFTKQLVAEHRIPASQFEFQMLYGIRPERQKELAKEGYRMRVYVPYGTDWFSYFMRRIAERPANAAFVLKGILKK
Consensus
[pKd Mean = 3.44]
-374
(s=54)
29
(s=3)
MLRHVFLFLSQNKTLTKFAKAYGTRLGARRFVAGDTIESAVKTVKRLNRSGLCATIDYLGEYAASEKEANQVAEECKKAIQAIAEHQLDSELSLKLTSIGLDLSEELALTHLRAILSVAKQYDVAVTIDMEDYSHYEQTLSIYRQCKQEFEKLGTVIQAYLYRAAEDIKKMRDLKPNLRLVKGAYKESAAVAFPDKRGTDLHFQSLIKLQLLSGNYTAVATHDDDIIKFTKQLVAEHRIPASQFEFQMLYGIRPERQKELAKEGYRMRVYVPYGTDWFSYFMRRIAERPANAAFVLKGILKK