Study : bsu34230 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: X04_A_4(1O69) / Model_39(1O69/A) = [3.3] Download428.7910.18MHKKIYLSPPHMSGREQHYISEAFRSNWIAPLGPLVNSFEEQLAERVGVKAAAAVGSGTAAIHLALRLLEVKEGDSVFCQSFTFVATANPILYEKAVPVFIDSEPDTWNMSPTALERALEEAKRNGTLPKAVIAVNLYGQSAKMDEIVSLCDAYGVPVIEDAAESLGTVYKGKQSGTFGRFGIFSFNGNKIITTSGGGMLVSNDEAAIEKARFLASQAREPAVHYQHSEIGHNYRLSNILAGVGIAQLEVLDERVEKRRTIFTRYKNALGHLDGVRFMPEYAAGVSNRWLTTLTLDNGLSPYDIVQRLAEENIEARPLWKPLHTQPLFDPALFYSHEDTGSVCEDLFKRGICLPSGSNMTEDEQGRVIEVLLHLFHTVEVKKWTASIR
Complex: X04_A_4(1O69) / Model_49(1O69/A) = [3.3] Download359.0210.18MHKKIYLSPPHMSGREQHYISEAFRSNWIAPLGPLVNSFEEQLAERVGVKAAAAVGSGTAAIHLALRLLEVKEGDSVFCQSFTFVATANPILYEKAVPVFIDSEPDTWNMSPTALERALEEAKRNGTLPKAVIAVNLYGQSAKMDEIVSLCDAYGVPVIEDAAESLGTVYKGKQSGTFGRFGIFSFNGNKIITTSGGGMLVSNDEAAIEKARFLASQAREPAVHYQHSEIGHNYRLSNILAGVGIAQLEVLDERVEKRRTIFTRYKNALGHLDGVRFMPEYAAGVSNRWLTTLTLDNGLSPYDIVQRLAEENIEARPLWKPLHTQPLFDPALFYSHEDTGSVCEDLFKRGICLPSGSNMTEDEQGRVIEVLLHLFHTVEVKKWTASIR
Complex: X04_A_4(1O69) / Model_3(1O69/A) = [3.3] Download440.1610.18MHKKIYLSPPHMSGREQHYISEAFRSNWIAPLGPLVNSFEEQLAERVGVKAAAAVGSGTAAIHLALRLLEVKEGDSVFCQSFTFVATANPILYEKAVPVFIDSEPDTWNMSPTALERALEEAKRNGTLPKAVIAVNLYGQSAKMDEIVSLCDAYGVPVIEDAAESLGTVYKGKQSGTFGRFGIFSFNGNKIITTSGGGMLVSNDEAAIEKARFLASQAREPAVHYQHSEIGHNYRLSNILAGVGIAQLEVLDERVEKRRTIFTRYKNALGHLDGVRFMPEYAAGVSNRWLTTLTLDNGLSPYDIVQRLAEENIEARPLWKPLHTQPLFDPALFYSHEDTGSVCEDLFKRGICLPSGSNMTEDEQGRVIEVLLHLFHTVEVKKWTASIR
Complex: PLP_A_5(4QGR) / Model_6(4QGR/A) = [3.8] Download284.1720.11MHKKIYLSPPHMSGREQHYISEAFRSNWIAPLGPLVNSFEEQLAERVGVKAAAAVGSGTAAIHLALRLLEVKEGDSVFCQSFTFVATANPILYEKAVPVFIDSEPDTWNMSPTALERALEEAKRNGTLPKAVIAVNLYGQSAKMDEIVSLCDAYGVPVIEDAAESLGTVYKGKQSGTFGRFGIFSFNGNKIITTSGGGMLVSNDEAAIEKARFLASQAREPAVHYQHSEIGHNYRLSNILAGVGIAQLEVLDERVEKRRTIFTRYKNALGHLDGVRFMPEYAAGVSNRWLTTLTLDNGLSPYDIVQRLAEENIEARPLWKPLHTQPLFDPALFYSHEDTGSVCEDLFKRGICLPSGSNMTEDEQGRVIEVLLHLFHTVEVKKWTASIR
Complex: PLP_B_7(4QGR) / Model_27(4QGR/B) = [4.0] Download478.3820.11MHKKIYLSPPHMSGREQHYISEAFRSNWIAPLGPLVNSFEEQLAERVGVKAAAAVGSGTAAIHLALRLLEVKEGDSVFCQSFTFVATANPILYEKAVPVFIDSEPDTWNMSPTALERALEEAKRNGTLPKAVIAVNLYGQSAKMDEIVSLCDAYGVPVIEDAAESLGTVYKGKQSGTFGRFGIFSFNGNKIITTSGGGMLVSNDEAAIEKARFLASQAREPAVHYQHSEIGHNYRLSNILAGVGIAQLEVLDERVEKRRTIFTRYKNALGHLDGVRFMPEYAAGVSNRWLTTLTLDNGLSPYDIVQRLAEENIEARPLWKPLHTQPLFDPALFYSHEDTGSVCEDLFKRGICLPSGSNMTEDEQGRVIEVLLHLFHTVEVKKWTASIR
Consensus
[pKd Mean = 3.54]
-398
(s=68)
14
(s=4)
MHKKIYLSPPHMSGREQHYISEAFRSNWIAPLGPLVNSFEEQLAERVGVKAAAAVGSGTAAIHLALRLLEVKEGDSVFCQSFTFVATANPILYEKAVPVFIDSEPDTWNMSPTALERALEEAKRNGTLPKAVIAVNLYGQSAKMDEIVSLCDAYGVPVIEDAAESLGTVYKGKQSGTFGRFGIFSFNGNKIITTSGGGMLVSNDEAAIEKARFLASQAREPAVHYQHSEIGHNYRLSNILAGVGIAQLEVLDERVEKRRTIFTRYKNALGHLDGVRFMPEYAAGVSNRWLTTLTLDNGLSPYDIVQRLAEENIEARPLWKPLHTQPLFDPALFYSHEDTGSVCEDLFKRGICLPSGSNMTEDEQGRVIEVLLHLFHTVEVKKWTASIR