Study : Rv0687 (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: NAD_B_6(3T7C) / Model_37(3T7C/B) = [10.7] Download1030.6438.95MSARGGSLHGRVAFVTGAARAQGRSHAVRLAREGADIVALDICAPVSGSVTYPPATSEDLGETVRAVEAEGRKVLAREVDIRDDAELRRLVADGVEQFGRLDIVVANAGVLGWGRLWELTDEQWETVIGVNLTGTWRTLRATVPAMIDAGNGGSIVVVSSSAGLKATPGNGHYAASKHALVALTNTLAIELGEFGIRVNSIHPYSVDTPMIEPEAMIQTFAKHPGYVHSFPPMPLQPKGFMTPDEISDVVVWLAGDGSGALSGNQIPVDKGALKY
Complex: NAD_A_5(3T7C) / Model_6(3T7C/A) = [10.7] Download951.7934.78MSARGGSLHGRVAFVTGAARAQGRSHAVRLAREGADIVALDICAPVSGSVTYPPATSEDLGETVRAVEAEGRKVLAREVDIRDDAELRRLVADGVEQFGRLDIVVANAGVLGWGRLWELTDEQWETVIGVNLTGTWRTLRATVPAMIDAGNGGSIVVVSSSAGLKATPGNGHYAASKHALVALTNTLAIELGEFGIRVNSIHPYSVDTPMIEPEAMIQTFAKHPGYVHSFPPMPLQPKGFMTPDEISDVVVWLAGDGSGALSGNQIPVDKGALKY
Complex: NAD_D_8(3T7C) / Model_35(3T7C/D) = [11.0] Download1116.4436.26MSARGGSLHGRVAFVTGAARAQGRSHAVRLAREGADIVALDICAPVSGSVTYPPATSEDLGETVRAVEAEGRKVLAREVDIRDDAELRRLVADGVEQFGRLDIVVANAGVLGWGRLWELTDEQWETVIGVNLTGTWRTLRATVPAMIDAGNGGSIVVVSSSAGLKATPGNGHYAASKHALVALTNTLAIELGEFGIRVNSIHPYSVDTPMIEPEAMIQTFAKHPGYVHSFPPMPLQPKGFMTPDEISDVVVWLAGDGSGALSGNQIPVDKGALKY
Complex: NAD_C_7(3T7C) / Model_36(3T7C/C) = [11.1] Download991.9435.85MSARGGSLHGRVAFVTGAARAQGRSHAVRLAREGADIVALDICAPVSGSVTYPPATSEDLGETVRAVEAEGRKVLAREVDIRDDAELRRLVADGVEQFGRLDIVVANAGVLGWGRLWELTDEQWETVIGVNLTGTWRTLRATVPAMIDAGNGGSIVVVSSSAGLKATPGNGHYAASKHALVALTNTLAIELGEFGIRVNSIHPYSVDTPMIEPEAMIQTFAKHPGYVHSFPPMPLQPKGFMTPDEISDVVVWLAGDGSGALSGNQIPVDKGALKY
Complex: NAD_D_13(5EJ2) / Model_32(5EJ2/D) = [11.4] Download989.6636.84MSARGGSLHGRVAFVTGAARAQGRSHAVRLAREGADIVALDICAPVSGSVTYPPATSEDLGETVRAVEAEGRKVLAREVDIRDDAELRRLVADGVEQFGRLDIVVANAGVLGWGRLWELTDEQWETVIGVNLTGTWRTLRATVPAMIDAGNGGSIVVVSSSAGLKATPGNGHYAASKHALVALTNTLAIELGEFGIRVNSIHPYSVDTPMIEPEAMIQTFAKHPGYVHSFPPMPLQPKGFMTPDEISDVVVWLAGDGSGALSGNQIPVDKGALKY
Consensus
[pKd Mean = 10.98]
-1016
(s=56)
36
(s=1)
MSARGGSLHGRVAFVTGAARAQGRSHAVRLAREGADIVALDICAPVSGSVTYPPATSEDLGETVRAVEAEGRKVLAREVDIRDDAELRRLVADGVEQFGRLDIVVANAGVLGWGRLWELTDEQWETVIGVNLTGTWRTLRATVPAMIDAGNGGSIVVVSSSAGLKATPGNGHYAASKHALVALTNTLAIELGEFGIRVNSIHPYSVDTPMIEPEAMIQTFAKHPGYVHSFPPMPLQPKGFMTPDEISDVVVWLAGDGSGALSGNQIPVDKGALKY