Study : bsu33440 (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: NAP_B_9(4DQL) / Model_39(4DQL/B) = [5.7] Download1423.1423.82MQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKPNQLKKVTNLLIVVSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISPRVDCDLDYDEPAAEWLEGVLKGLNEAGGGSAAPAPAAASQTGESSYSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLNKQGDVRPLKEALISHYEITVLTKPLLEQAAQLTGNDELRELLAPGNEENVKAYIEGRDLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDAHGRERKGVCSILCAERLQPGDTLPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQEREETGAEGKAWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWLQEGAAVYICGDEKHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY
Complex: NAP_A_4(4DQL) / Model_40(4DQL/A) = [6.0] Download1862.0821.18MQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKPNQLKKVTNLLIVVSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISPRVDCDLDYDEPAAEWLEGVLKGLNEAGGGSAAPAPAAASQTGESSYSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLNKQGDVRPLKEALISHYEITVLTKPLLEQAAQLTGNDELRELLAPGNEENVKAYIEGRDLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDAHGRERKGVCSILCAERLQPGDTLPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQEREETGAEGKAWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWLQEGAAVYICGDEKHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY
Complex: NAP_A_4(4DQL) / Model_115(4DQL/A) = [6.0] Download1806.7123.28MQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKPNQLKKVTNLLIVVSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISPRVDCDLDYDEPAAEWLEGVLKGLNEAGGGSAAPAPAAASQTGESSYSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLNKQGDVRPLKEALISHYEITVLTKPLLEQAAQLTGNDELRELLAPGNEENVKAYIEGRDLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDAHGRERKGVCSILCAERLQPGDTLPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQEREETGAEGKAWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWLQEGAAVYICGDEKHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY
Complex: NAP_C_3(1F20) / Model_101(1F20/A) = [6.9] Download1706.3821.58MQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKPNQLKKVTNLLIVVSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISPRVDCDLDYDEPAAEWLEGVLKGLNEAGGGSAAPAPAAASQTGESSYSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLNKQGDVRPLKEALISHYEITVLTKPLLEQAAQLTGNDELRELLAPGNEENVKAYIEGRDLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDAHGRERKGVCSILCAERLQPGDTLPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQEREETGAEGKAWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWLQEGAAVYICGDEKHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY
Complex: NAP_C_3(1F20) / Model_41(1F20/A) = [7.0] Download1680.9722.84MQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKPNQLKKVTNLLIVVSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISPRVDCDLDYDEPAAEWLEGVLKGLNEAGGGSAAPAPAAASQTGESSYSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLNKQGDVRPLKEALISHYEITVLTKPLLEQAAQLTGNDELRELLAPGNEENVKAYIEGRDLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDAHGRERKGVCSILCAERLQPGDTLPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQEREETGAEGKAWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWLQEGAAVYICGDEKHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY
Consensus
[pKd Mean = 6.32]		-1695
(s=151)		22
(s=1)		MQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKPNQLKKVTNLLIVVSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISPRVDCDLDYDEPAAEWLEGVLKGLNEAGGGSAAPAPAAASQTGESSYSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLNKQGDVRPLKEALISHYEITVLTKPLLEQAAQLTGNDELRELLAPGNEENVKAYIEGRDLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDAHGRERKGVCSILCAERLQPGDTLPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQEREETGAEGKAWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWLQEGAAVYICGDEKHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY