Study : PF00017_FPS_FUJSV (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: 112_D_4(2G2F) / Model_11(2G2F/A) = [3.2] Download1605.0321.38ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR
Complex: ADP_E_5(2G2I) / Model_13(2G2I/A) = [4.0] Download1475.3922.30ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR
Complex: VGH_A_2(2YFX) / Model_48(2YFX/A) = [4.8] Download1282.2416.41ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR
Complex: PP1_B_2(1QCF) / Model_33(1QCF/A) = [4.8] Download586.9929.22ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR
Complex: CHAIN_C_3(2G2I) / Model_13(2G2I/A) = [5.1] Download--ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR
Consensus
[pKd Mean = 4.38]
-1237
(s=392)
22
(s=4)
ASGQLHRPQPQEHTSTSAAAGTWRLTQASESRHRLPHCSAAPSHQDHSAMGFGPELWCPKGHTELLRLQDSELRLLELMKKWMSQRAKSDREYAGMLHHMFSQLEKQEGLGHLRATDHSSQIGESWWVLASQTETLSQTLRRHAEELAAGPLAKLSILIRDKQQLRKVFSEQWQQLSQEYAWTTQQEVEKLKAQYRSLVRDSTQAKRKYQEASKDKEREKAKEKYVRSLSKLYALHNQYVLAVQAAALHHHHHYQRALPTLHESLYSLQQEMVLVLKEILGEYCSITSLVQEDVLAIHQKVAHAVEMIDPATEYSSFVQCHRYDSEVPPAVTFDESLLEEAENLEPGELQLNELTIESVQHSLTSIEEELLASRKAVSSKEQRVWELQVELRGEELALSPGERVHLLGKRQGLREAQQQLQGLVCAQAKLQAQRDMLANKLAELGSEEPPPALPLQEDRQSARSTDQERSGVTALKTIKNHISGIFSPRFSLPPPVPLIPEVQKPLCQQAWYHGAIPRSEVQELLKYSGDFLVRESQGKQEYVLSVLWDGQPRHFIIQAADNLYRLEDDGLPTIPLLIDHLLQSQRPITRKSGIVLTRAVLKDKWVLNHEDVLLGERIGRGNFGEVFSGRLRADNTPVAVKSCRETLPPELKAKFLQEARILKQCNHPNIVRLIGVCTQKQPIYIVMELVQGGDFLSFLRSKGPRLKMKKLIKMMENAAAGMEYLESKHCIHRDLAARNCLVTEKNTLKISDFGMSRQEEDGVYASTGGMKQIPVKWTAPEALNYGWYSSESDVWSFGILLWEAFSLGAVPYANLSNQQTREAIEQGVRLEPPEQCPEDVYRLMQRCWEYDPHRRPSFGAVHQDLIAIRKRHR