Study : bsu28360 (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: GOL_B_19(2DVN) / Model_26(2DVN/B) = [3.1] Download549.62-15.64MIIMKEAIIATHNPGKVKEFKEILEPRGYDVKSLAEIGFTEEIEETGHTFEENAIMKAEAVAKAVNKMVIADDSGLSIDNLGGRPGVYSARYAGEQKDDQANIEKVLSELKGIEKEQRTARFRCALAVSIPGEETKTVEGHVEGYIAEEPRGEYGFGYDPIFIVKDKDKTMAELTSDEKNKISHRADALKKLSKLLEA
Complex: IMP_A_2(2PYU) / Model_2(2PYU/A) = [5.1] Download863.2910.04MIIMKEAIIATHNPGKVKEFKEILEPRGYDVKSLAEIGFTEEIEETGHTFEENAIMKAEAVAKAVNKMVIADDSGLSIDNLGGRPGVYSARYAGEQKDDQANIEKVLSELKGIEKEQRTARFRCALAVSIPGEETKTVEGHVEGYIAEEPRGEYGFGYDPIFIVKDKDKTMAELTSDEKNKISHRADALKKLSKLLEA
Complex: IMP_B_17(2DVN) / Model_26(2DVN/B) = [6.0] Download801.0411.43MIIMKEAIIATHNPGKVKEFKEILEPRGYDVKSLAEIGFTEEIEETGHTFEENAIMKAEAVAKAVNKMVIADDSGLSIDNLGGRPGVYSARYAGEQKDDQANIEKVLSELKGIEKEQRTARFRCALAVSIPGEETKTVEGHVEGYIAEEPRGEYGFGYDPIFIVKDKDKTMAELTSDEKNKISHRADALKKLSKLLEA
Complex: ANP_C_3(2MJP) / Model_14(2MJP/A) = [6.1] Download1070.028.48MIIMKEAIIATHNPGKVKEFKEILEPRGYDVKSLAEIGFTEEIEETGHTFEENAIMKAEAVAKAVNKMVIADDSGLSIDNLGGRPGVYSARYAGEQKDDQANIEKVLSELKGIEKEQRTARFRCALAVSIPGEETKTVEGHVEGYIAEEPRGEYGFGYDPIFIVKDKDKTMAELTSDEKNKISHRADALKKLSKLLEA
Complex: IMP_B_7(3S86) / Model_24(3S86/B) = [6.3] Download778.310.79MIIMKEAIIATHNPGKVKEFKEILEPRGYDVKSLAEIGFTEEIEETGHTFEENAIMKAEAVAKAVNKMVIADDSGLSIDNLGGRPGVYSARYAGEQKDDQANIEKVLSELKGIEKEQRTARFRCALAVSIPGEETKTVEGHVEGYIAEEPRGEYGFGYDPIFIVKDKDKTMAELTSDEKNKISHRADALKKLSKLLEA
Consensus
[pKd Mean = 5.32]
-812
(s=166)
3
(s=10)
MIIMKEAIIATHNPGKVKEFKEILEPRGYDVKSLAEIGFTEEIEETGHTFEENAIMKAEAVAKAVNKMVIADDSGLSIDNLGGRPGVYSARYAGEQKDDQANIEKVLSELKGIEKEQRTARFRCALAVSIPGEETKTVEGHVEGYIAEEPRGEYGFGYDPIFIVKDKDKTMAELTSDEKNKISHRADALKKLSKLLEA