Study : PA0134 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: GUN_A_5(2I9U) / Model_4(2I9U/A) = [4.3] Download283.3516.05MNDAVPAGNFVPPLILHSDHGGSAMSSSAHRGRILHFLGDPAKLGDKAWEYFEDGLLWIEHGHVRALDHATYLLPQLPADLPLEEHPQRLLLPGFVDCHVHYPQLGVIASYGTQLLDWLETHTFPAEQRFADAGYAAAQAELFLDELLRHGTTTALVFGTVHAVSAEAFFQAAQKRRLRMIAGKVLMDRNAPPALCDTAASGYAESRALIERWHGNGRLQYAVTPRFAPTSSPEQLAAAARLLDEYPGVYLHTHLSENLKEVAWVGELFPQAQDYLDVYHRAGLVGERSVFAHGIHLSERECRCLAHKNAALAHCPSSNLFIGSGLFDLGRAQQYGIRVGIGSDVGGGTSLSLLANLADAYKIQQLRGTSLDPFQALYLATLGGARALDLDGLVGNFLPGREADFVALDLAATPMIAQRMEHARGLADTLFVLNTLGDDRAVAETWVMGERRHVKG
Complex: XAN_A_3(2UZ9) / Model_1(2UZ9/A) = [4.5] Download203.697.87MNDAVPAGNFVPPLILHSDHGGSAMSSSAHRGRILHFLGDPAKLGDKAWEYFEDGLLWIEHGHVRALDHATYLLPQLPADLPLEEHPQRLLLPGFVDCHVHYPQLGVIASYGTQLLDWLETHTFPAEQRFADAGYAAAQAELFLDELLRHGTTTALVFGTVHAVSAEAFFQAAQKRRLRMIAGKVLMDRNAPPALCDTAASGYAESRALIERWHGNGRLQYAVTPRFAPTSSPEQLAAAARLLDEYPGVYLHTHLSENLKEVAWVGELFPQAQDYLDVYHRAGLVGERSVFAHGIHLSERECRCLAHKNAALAHCPSSNLFIGSGLFDLGRAQQYGIRVGIGSDVGGGTSLSLLANLADAYKIQQLRGTSLDPFQALYLATLGGARALDLDGLVGNFLPGREADFVALDLAATPMIAQRMEHARGLADTLFVLNTLGDDRAVAETWVMGERRHVKG
Complex: TXC_A_3(4AQL) / Model_2(4AQL/A) = [7.4] Download779.2420.00MNDAVPAGNFVPPLILHSDHGGSAMSSSAHRGRILHFLGDPAKLGDKAWEYFEDGLLWIEHGHVRALDHATYLLPQLPADLPLEEHPQRLLLPGFVDCHVHYPQLGVIASYGTQLLDWLETHTFPAEQRFADAGYAAAQAELFLDELLRHGTTTALVFGTVHAVSAEAFFQAAQKRRLRMIAGKVLMDRNAPPALCDTAASGYAESRALIERWHGNGRLQYAVTPRFAPTSSPEQLAAAARLLDEYPGVYLHTHLSENLKEVAWVGELFPQAQDYLDVYHRAGLVGERSVFAHGIHLSERECRCLAHKNAALAHCPSSNLFIGSGLFDLGRAQQYGIRVGIGSDVGGGTSLSLLANLADAYKIQQLRGTSLDPFQALYLATLGGARALDLDGLVGNFLPGREADFVALDLAATPMIAQRMEHARGLADTLFVLNTLGDDRAVAETWVMGERRHVKG
Consensus
[pKd Mean = 5.40]
-422
(s=254)
14
(s=5)
MNDAVPAGNFVPPLILHSDHGGSAMSSSAHRGRILHFLGDPAKLGDKAWEYFEDGLLWIEHGHVRALDHATYLLPQLPADLPLEEHPQRLLLPGFVDCHVHYPQLGVIASYGTQLLDWLETHTFPAEQRFADAGYAAAQAELFLDELLRHGTTTALVFGTVHAVSAEAFFQAAQKRRLRMIAGKVLMDRNAPPALCDTAASGYAESRALIERWHGNGRLQYAVTPRFAPTSSPEQLAAAARLLDEYPGVYLHTHLSENLKEVAWVGELFPQAQDYLDVYHRAGLVGERSVFAHGIHLSERECRCLAHKNAALAHCPSSNLFIGSGLFDLGRAQQYGIRVGIGSDVGGGTSLSLLANLADAYKIQQLRGTSLDPFQALYLATLGGARALDLDGLVGNFLPGREADFVALDLAATPMIAQRMEHARGLADTLFVLNTLGDDRAVAETWVMGERRHVKG