Study : bsu36250 (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: ADP_A_2(4JLV) / Model_129(4JLV/A) = [5.0] Download981.0311.86MALRKNRGSRMQRNVIAMTEPKSLNSEQYRTIRTNIEFASVDRQMKSVMITSACPGEGKSTTAANLAVVFAQQGKKVLLIDADLRKPTVHTAFFLENTVGLTSVLLKKSSMEQAVQASNEKHLDVLTSGPIPPNPAELLSSKWMKELAYEACAAYDMVIFDTPPILAVADAQILGNVADGSVLVISSGKTEKEQAAKAKEALATCKSKLLGAIMNGKKLSKHSEYGYYGTKDNFMQK
Complex: ADP_A_2(4JLV) / Model_3(4JLV/A) = [5.0] Download1025.4311.86MALRKNRGSRMQRNVIAMTEPKSLNSEQYRTIRTNIEFASVDRQMKSVMITSACPGEGKSTTAANLAVVFAQQGKKVLLIDADLRKPTVHTAFFLENTVGLTSVLLKKSSMEQAVQASNEKHLDVLTSGPIPPNPAELLSSKWMKELAYEACAAYDMVIFDTPPILAVADAQILGNVADGSVLVISSGKTEKEQAAKAKEALATCKSKLLGAIMNGKKLSKHSEYGYYGTKDNFMQK
Complex: ADP_A_3(2VED) / Model_2(2VED/A) = [5.3] Download1268.2112.30MALRKNRGSRMQRNVIAMTEPKSLNSEQYRTIRTNIEFASVDRQMKSVMITSACPGEGKSTTAANLAVVFAQQGKKVLLIDADLRKPTVHTAFFLENTVGLTSVLLKKSSMEQAVQASNEKHLDVLTSGPIPPNPAELLSSKWMKELAYEACAAYDMVIFDTPPILAVADAQILGNVADGSVLVISSGKTEKEQAAKAKEALATCKSKLLGAIMNGKKLSKHSEYGYYGTKDNFMQK
Complex: ADP_B_5(2VED) / Model_22(2VED/B) = [5.4] Download1137.248.41MALRKNRGSRMQRNVIAMTEPKSLNSEQYRTIRTNIEFASVDRQMKSVMITSACPGEGKSTTAANLAVVFAQQGKKVLLIDADLRKPTVHTAFFLENTVGLTSVLLKKSSMEQAVQASNEKHLDVLTSGPIPPNPAELLSSKWMKELAYEACAAYDMVIFDTPPILAVADAQILGNVADGSVLVISSGKTEKEQAAKAKEALATCKSKLLGAIMNGKKLSKHSEYGYYGTKDNFMQK
Complex: ADP_A_5(3BFV) / Model_1(3BFV/A) = [5.6] Download1083.9110.14MALRKNRGSRMQRNVIAMTEPKSLNSEQYRTIRTNIEFASVDRQMKSVMITSACPGEGKSTTAANLAVVFAQQGKKVLLIDADLRKPTVHTAFFLENTVGLTSVLLKKSSMEQAVQASNEKHLDVLTSGPIPPNPAELLSSKWMKELAYEACAAYDMVIFDTPPILAVADAQILGNVADGSVLVISSGKTEKEQAAKAKEALATCKSKLLGAIMNGKKLSKHSEYGYYGTKDNFMQK
Consensus
[pKd Mean = 5.26]
-1099
(s=99)
10
(s=1)
MALRKNRGSRMQRNVIAMTEPKSLNSEQYRTIRTNIEFASVDRQMKSVMITSACPGEGKSTTAANLAVVFAQQGKKVLLIDADLRKPTVHTAFFLENTVGLTSVLLKKSSMEQAVQASNEKHLDVLTSGPIPPNPAELLSSKWMKELAYEACAAYDMVIFDTPPILAVADAQILGNVADGSVLVISSGKTEKEQAAKAKEALATCKSKLLGAIMNGKKLSKHSEYGYYGTKDNFMQK