Study : PA0482 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: GLV_A_3(1N8I) / Model_45(1N8I/A) = [3.6] Download157.1115.57MTERVQVGGLQVAKVLFDFVNNEAIPGTGVSADTFWTGAEAVINDLAPKNKALLAKRDELQAKIDGWHQARAGQAHDAVAYKAFLEEIGYLLPEAEDFQAGTQNVDDEIARMAGPQLVVPVMNARFALNASNARWGSLYDALYGTDVISEEGGAEKGKGYNKVRGDKVIAFARAFLDEAAPLESGSHVDATSYSVKNGALVVALKNGSETGLKNAGQFLAFQGDAAKPQAVLLKHNGLHFEIQIDPSSPVGQTDAAGVKDVLMEAALTTIMDCEDSVAAVDADDKVVIYRNWLGLMKGDLAEEVSKGGSTFTRTMNPDRVYTRADGSELTLHGRSLLFVRNVGHLMTNDAILDKDGNEVPEGIQDGLFTSLIAIHDLNGNTSRKNSRTGSVYIVKPKMHGPEEAAFTNELFGRVEDVLGLPRNTLKVGIMDEERRTTVNLKACIKAAKDRVVFINTGFLDRTGDEIHTSMEAGAVVRKGAMKSEKWIGAYENNNVDVGLATGLQGKAQIGKGMWAMPDLMAAMLEQKIGHPLAGANTAWVPSPTAATLHALHYHKVDVFARQAELAKRTPASVDDILTIPLAPNTNWTAEEIKNEVDNNAQGILGYVVRWIDQGVGCSKVPDINDVGLMEDRATLRISSQLLANWLRHGVISQEQVVESLKRMAVVVDRQNASDPSYRPMAPNFDDNVAFQAALELVVEGTRQPNGYTEPVLHRRRREFKAKNGL
Complex: XI7_A_2(3S9I) / Model_3(3S9I/A) = [5.1] Download464.3125.37MTERVQVGGLQVAKVLFDFVNNEAIPGTGVSADTFWTGAEAVINDLAPKNKALLAKRDELQAKIDGWHQARAGQAHDAVAYKAFLEEIGYLLPEAEDFQAGTQNVDDEIARMAGPQLVVPVMNARFALNASNARWGSLYDALYGTDVISEEGGAEKGKGYNKVRGDKVIAFARAFLDEAAPLESGSHVDATSYSVKNGALVVALKNGSETGLKNAGQFLAFQGDAAKPQAVLLKHNGLHFEIQIDPSSPVGQTDAAGVKDVLMEAALTTIMDCEDSVAAVDADDKVVIYRNWLGLMKGDLAEEVSKGGSTFTRTMNPDRVYTRADGSELTLHGRSLLFVRNVGHLMTNDAILDKDGNEVPEGIQDGLFTSLIAIHDLNGNTSRKNSRTGSVYIVKPKMHGPEEAAFTNELFGRVEDVLGLPRNTLKVGIMDEERRTTVNLKACIKAAKDRVVFINTGFLDRTGDEIHTSMEAGAVVRKGAMKSEKWIGAYENNNVDVGLATGLQGKAQIGKGMWAMPDLMAAMLEQKIGHPLAGANTAWVPSPTAATLHALHYHKVDVFARQAELAKRTPASVDDILTIPLAPNTNWTAEEIKNEVDNNAQGILGYVVRWIDQGVGCSKVPDINDVGLMEDRATLRISSQLLANWLRHGVISQEQVVESLKRMAVVVDRQNASDPSYRPMAPNFDDNVAFQAALELVVEGTRQPNGYTEPVLHRRRREFKAKNGL
Complex: 043_A_2(3SAZ) / Model_4(3SAZ/A) = [5.3] Download461.7122.50MTERVQVGGLQVAKVLFDFVNNEAIPGTGVSADTFWTGAEAVINDLAPKNKALLAKRDELQAKIDGWHQARAGQAHDAVAYKAFLEEIGYLLPEAEDFQAGTQNVDDEIARMAGPQLVVPVMNARFALNASNARWGSLYDALYGTDVISEEGGAEKGKGYNKVRGDKVIAFARAFLDEAAPLESGSHVDATSYSVKNGALVVALKNGSETGLKNAGQFLAFQGDAAKPQAVLLKHNGLHFEIQIDPSSPVGQTDAAGVKDVLMEAALTTIMDCEDSVAAVDADDKVVIYRNWLGLMKGDLAEEVSKGGSTFTRTMNPDRVYTRADGSELTLHGRSLLFVRNVGHLMTNDAILDKDGNEVPEGIQDGLFTSLIAIHDLNGNTSRKNSRTGSVYIVKPKMHGPEEAAFTNELFGRVEDVLGLPRNTLKVGIMDEERRTTVNLKACIKAAKDRVVFINTGFLDRTGDEIHTSMEAGAVVRKGAMKSEKWIGAYENNNVDVGLATGLQGKAQIGKGMWAMPDLMAAMLEQKIGHPLAGANTAWVPSPTAATLHALHYHKVDVFARQAELAKRTPASVDDILTIPLAPNTNWTAEEIKNEVDNNAQGILGYVVRWIDQGVGCSKVPDINDVGLMEDRATLRISSQLLANWLRHGVISQEQVVESLKRMAVVVDRQNASDPSYRPMAPNFDDNVAFQAALELVVEGTRQPNGYTEPVLHRRRREFKAKNGL
Complex: I93_A_3(3SB0) / Model_5(3SB0/A) = [5.4] Download419.7722.50MTERVQVGGLQVAKVLFDFVNNEAIPGTGVSADTFWTGAEAVINDLAPKNKALLAKRDELQAKIDGWHQARAGQAHDAVAYKAFLEEIGYLLPEAEDFQAGTQNVDDEIARMAGPQLVVPVMNARFALNASNARWGSLYDALYGTDVISEEGGAEKGKGYNKVRGDKVIAFARAFLDEAAPLESGSHVDATSYSVKNGALVVALKNGSETGLKNAGQFLAFQGDAAKPQAVLLKHNGLHFEIQIDPSSPVGQTDAAGVKDVLMEAALTTIMDCEDSVAAVDADDKVVIYRNWLGLMKGDLAEEVSKGGSTFTRTMNPDRVYTRADGSELTLHGRSLLFVRNVGHLMTNDAILDKDGNEVPEGIQDGLFTSLIAIHDLNGNTSRKNSRTGSVYIVKPKMHGPEEAAFTNELFGRVEDVLGLPRNTLKVGIMDEERRTTVNLKACIKAAKDRVVFINTGFLDRTGDEIHTSMEAGAVVRKGAMKSEKWIGAYENNNVDVGLATGLQGKAQIGKGMWAMPDLMAAMLEQKIGHPLAGANTAWVPSPTAATLHALHYHKVDVFARQAELAKRTPASVDDILTIPLAPNTNWTAEEIKNEVDNNAQGILGYVVRWIDQGVGCSKVPDINDVGLMEDRATLRISSQLLANWLRHGVISQEQVVESLKRMAVVVDRQNASDPSYRPMAPNFDDNVAFQAALELVVEGTRQPNGYTEPVLHRRRREFKAKNGL
Consensus
[pKd Mean = 4.85]		-375
(s=127)		21
(s=3)		MTERVQVGGLQVAKVLFDFVNNEAIPGTGVSADTFWTGAEAVINDLAPKNKALLAKRDELQAKIDGWHQARAGQAHDAVAYKAFLEEIGYLLPEAEDFQAGTQNVDDEIARMAGPQLVVPVMNARFALNASNARWGSLYDALYGTDVISEEGGAEKGKGYNKVRGDKVIAFARAFLDEAAPLESGSHVDATSYSVKNGALVVALKNGSETGLKNAGQFLAFQGDAAKPQAVLLKHNGLHFEIQIDPSSPVGQTDAAGVKDVLMEAALTTIMDCEDSVAAVDADDKVVIYRNWLGLMKGDLAEEVSKGGSTFTRTMNPDRVYTRADGSELTLHGRSLLFVRNVGHLMTNDAILDKDGNEVPEGIQDGLFTSLIAIHDLNGNTSRKNSRTGSVYIVKPKMHGPEEAAFTNELFGRVEDVLGLPRNTLKVGIMDEERRTTVNLKACIKAAKDRVVFINTGFLDRTGDEIHTSMEAGAVVRKGAMKSEKWIGAYENNNVDVGLATGLQGKAQIGKGMWAMPDLMAAMLEQKIGHPLAGANTAWVPSPTAATLHALHYHKVDVFARQAELAKRTPASVDDILTIPLAPNTNWTAEEIKNEVDNNAQGILGYVVRWIDQGVGCSKVPDINDVGLMEDRATLRISSQLLANWLRHGVISQEQVVESLKRMAVVVDRQNASDPSYRPMAPNFDDNVAFQAALELVVEGTRQPNGYTEPVLHRRRREFKAKNGL