Study : jhp_0466 (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: GNP_A_3(1WF3) / Model_8(1WF3/A) = [9.0] Download956.1323.23MKTKAGFVALIGKPNAGKSTLLNTLLNAHLALVSHKANATRKLMKCIVPFKDKEGYESQIIFLDTPGLHHQEKLLNQCMLSQALKAMGDAELRVFLASVHDDLKGYEEFLSLCQKPHILALSKIDTATHKQVLQKLQEYQKYSSQFLALVPLSAKKSQNLNALLECISKHLSPSAWLFEKDLMSDEKMRDIYKEIIRESLFDFLSDEIPYESDVMIDKFIEEERIDKVYARIIVEKESQKKIVIGKNGVNIKRIGTNARLKMQEVGEKKVFLNLQVIAQKSWSKEEKSLQKLGYIYQRNRD
Complex: GNP_A_5(3R9X) / Model_6(3R9X/A) = [10.0] Download1044.9117.75MKTKAGFVALIGKPNAGKSTLLNTLLNAHLALVSHKANATRKLMKCIVPFKDKEGYESQIIFLDTPGLHHQEKLLNQCMLSQALKAMGDAELRVFLASVHDDLKGYEEFLSLCQKPHILALSKIDTATHKQVLQKLQEYQKYSSQFLALVPLSAKKSQNLNALLECISKHLSPSAWLFEKDLMSDEKMRDIYKEIIRESLFDFLSDEIPYESDVMIDKFIEEERIDKVYARIIVEKESQKKIVIGKNGVNIKRIGTNARLKMQEVGEKKVFLNLQVIAQKSWSKEEKSLQKLGYIYQRNRD
Complex: GNP_A_3(1WF3) / Model_62(1WF3/A) = [10.3] Download945.9013.81MKTKAGFVALIGKPNAGKSTLLNTLLNAHLALVSHKANATRKLMKCIVPFKDKEGYESQIIFLDTPGLHHQEKLLNQCMLSQALKAMGDAELRVFLASVHDDLKGYEEFLSLCQKPHILALSKIDTATHKQVLQKLQEYQKYSSQFLALVPLSAKKSQNLNALLECISKHLSPSAWLFEKDLMSDEKMRDIYKEIIRESLFDFLSDEIPYESDVMIDKFIEEERIDKVYARIIVEKESQKKIVIGKNGVNIKRIGTNARLKMQEVGEKKVFLNLQVIAQKSWSKEEKSLQKLGYIYQRNRD
Complex: GNP_A_4(3R9W) / Model_5(3R9W/A) = [10.4] Download906.7614.50MKTKAGFVALIGKPNAGKSTLLNTLLNAHLALVSHKANATRKLMKCIVPFKDKEGYESQIIFLDTPGLHHQEKLLNQCMLSQALKAMGDAELRVFLASVHDDLKGYEEFLSLCQKPHILALSKIDTATHKQVLQKLQEYQKYSSQFLALVPLSAKKSQNLNALLECISKHLSPSAWLFEKDLMSDEKMRDIYKEIIRESLFDFLSDEIPYESDVMIDKFIEEERIDKVYARIIVEKESQKKIVIGKNGVNIKRIGTNARLKMQEVGEKKVFLNLQVIAQKSWSKEEKSLQKLGYIYQRNRD
Complex: GNP_A_4(3IEV) / Model_7(3IEV/A) = [10.6] Download681.8414.74MKTKAGFVALIGKPNAGKSTLLNTLLNAHLALVSHKANATRKLMKCIVPFKDKEGYESQIIFLDTPGLHHQEKLLNQCMLSQALKAMGDAELRVFLASVHDDLKGYEEFLSLCQKPHILALSKIDTATHKQVLQKLQEYQKYSSQFLALVPLSAKKSQNLNALLECISKHLSPSAWLFEKDLMSDEKMRDIYKEIIRESLFDFLSDEIPYESDVMIDKFIEEERIDKVYARIIVEKESQKKIVIGKNGVNIKRIGTNARLKMQEVGEKKVFLNLQVIAQKSWSKEEKSLQKLGYIYQRNRD
Consensus
[pKd Mean = 10.06]
-907
(s=121)
16
(s=3)
MKTKAGFVALIGKPNAGKSTLLNTLLNAHLALVSHKANATRKLMKCIVPFKDKEGYESQIIFLDTPGLHHQEKLLNQCMLSQALKAMGDAELRVFLASVHDDLKGYEEFLSLCQKPHILALSKIDTATHKQVLQKLQEYQKYSSQFLALVPLSAKKSQNLNALLECISKHLSPSAWLFEKDLMSDEKMRDIYKEIIRESLFDFLSDEIPYESDVMIDKFIEEERIDKVYARIIVEKESQKKIVIGKNGVNIKRIGTNARLKMQEVGEKKVFLNLQVIAQKSWSKEEKSLQKLGYIYQRNRD