Study : bsu28110 (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: ANP_A_2(4AYW) / Model_67(4AYW/A) = [5.8] Download1181.0723.05MEVKEQLKLKELLFIMKQMPKTFKLIFTLERSLFLKLIRFSIITGILPIVSLYISQELINSLVTIRKEVSIVITIFLTYLGVSFFSELISQISEFYNGKFQLNIGYKLNYKVMKKSSNLALKDFENPEIYDKLERVTKEISYKPYQIIQAIITMTTSFVTLLSSIAFLMSWNPKVSLLLLVIPVISLFYFLKIGQEEFFIHWKRAGKERKSWYISYILTHDFSFKELKLYNLKDYLLNKYWDIKKSFIEQDTKILRKKTLLNLIYEIAVQLVGAVIIFIAIMSAFAGKIMVGNVMSYIRSVSLVQNHSQSIMTSIYSIYNSNLYMNQLYEFLELKEEKSQGHKKPIVEPIHSVVFQNVSFIYPNQGEQTLKHINVSLHKGERVAIVGPNGSGKKTFIKLLTGLYEVHEGDILINGINIKELDMDSYMNQIAALFQDFMKYEMTLKENIGFGQIDKLHQTNKMHEVLDIVRADFLKSHSSYQFDTQLGLWFDEGRQLSGGQWQKIALARAYFREASLYILDEPSSALDPIAEKETFDTFFSLSKDKIGIFISHRLVAAKLADRIIVMDKGEIVGIGTHEELLKTCPLYKKMDESENYMNPLEEEGSKWKEALYQG
Complex: ACP_A_4(4AYX) / Model_59(4AYX/A) = [5.9] Download1021.6026.35MEVKEQLKLKELLFIMKQMPKTFKLIFTLERSLFLKLIRFSIITGILPIVSLYISQELINSLVTIRKEVSIVITIFLTYLGVSFFSELISQISEFYNGKFQLNIGYKLNYKVMKKSSNLALKDFENPEIYDKLERVTKEISYKPYQIIQAIITMTTSFVTLLSSIAFLMSWNPKVSLLLLVIPVISLFYFLKIGQEEFFIHWKRAGKERKSWYISYILTHDFSFKELKLYNLKDYLLNKYWDIKKSFIEQDTKILRKKTLLNLIYEIAVQLVGAVIIFIAIMSAFAGKIMVGNVMSYIRSVSLVQNHSQSIMTSIYSIYNSNLYMNQLYEFLELKEEKSQGHKKPIVEPIHSVVFQNVSFIYPNQGEQTLKHINVSLHKGERVAIVGPNGSGKKTFIKLLTGLYEVHEGDILINGINIKELDMDSYMNQIAALFQDFMKYEMTLKENIGFGQIDKLHQTNKMHEVLDIVRADFLKSHSSYQFDTQLGLWFDEGRQLSGGQWQKIALARAYFREASLYILDEPSSALDPIAEKETFDTFFSLSKDKIGIFISHRLVAAKLADRIIVMDKGEIVGIGTHEELLKTCPLYKKMDESENYMNPLEEEGSKWKEALYQG
Complex: ATP_A_2(4K8O) / Model_64(4K8O/A) = [6.3] Download1102.2410.61MEVKEQLKLKELLFIMKQMPKTFKLIFTLERSLFLKLIRFSIITGILPIVSLYISQELINSLVTIRKEVSIVITIFLTYLGVSFFSELISQISEFYNGKFQLNIGYKLNYKVMKKSSNLALKDFENPEIYDKLERVTKEISYKPYQIIQAIITMTTSFVTLLSSIAFLMSWNPKVSLLLLVIPVISLFYFLKIGQEEFFIHWKRAGKERKSWYISYILTHDFSFKELKLYNLKDYLLNKYWDIKKSFIEQDTKILRKKTLLNLIYEIAVQLVGAVIIFIAIMSAFAGKIMVGNVMSYIRSVSLVQNHSQSIMTSIYSIYNSNLYMNQLYEFLELKEEKSQGHKKPIVEPIHSVVFQNVSFIYPNQGEQTLKHINVSLHKGERVAIVGPNGSGKKTFIKLLTGLYEVHEGDILINGINIKELDMDSYMNQIAALFQDFMKYEMTLKENIGFGQIDKLHQTNKMHEVLDIVRADFLKSHSSYQFDTQLGLWFDEGRQLSGGQWQKIALARAYFREASLYILDEPSSALDPIAEKETFDTFFSLSKDKIGIFISHRLVAAKLADRIIVMDKGEIVGIGTHEELLKTCPLYKKMDESENYMNPLEEEGSKWKEALYQG
Complex: ACP_A_4(4AYT) / Model_60(4AYT/A) = [6.5] Download1280.4726.35MEVKEQLKLKELLFIMKQMPKTFKLIFTLERSLFLKLIRFSIITGILPIVSLYISQELINSLVTIRKEVSIVITIFLTYLGVSFFSELISQISEFYNGKFQLNIGYKLNYKVMKKSSNLALKDFENPEIYDKLERVTKEISYKPYQIIQAIITMTTSFVTLLSSIAFLMSWNPKVSLLLLVIPVISLFYFLKIGQEEFFIHWKRAGKERKSWYISYILTHDFSFKELKLYNLKDYLLNKYWDIKKSFIEQDTKILRKKTLLNLIYEIAVQLVGAVIIFIAIMSAFAGKIMVGNVMSYIRSVSLVQNHSQSIMTSIYSIYNSNLYMNQLYEFLELKEEKSQGHKKPIVEPIHSVVFQNVSFIYPNQGEQTLKHINVSLHKGERVAIVGPNGSGKKTFIKLLTGLYEVHEGDILINGINIKELDMDSYMNQIAALFQDFMKYEMTLKENIGFGQIDKLHQTNKMHEVLDIVRADFLKSHSSYQFDTQLGLWFDEGRQLSGGQWQKIALARAYFREASLYILDEPSSALDPIAEKETFDTFFSLSKDKIGIFISHRLVAAKLADRIIVMDKGEIVGIGTHEELLKTCPLYKKMDESENYMNPLEEEGSKWKEALYQG
Complex: ATP_A_2(2IXG) / Model_68(2IXG/A) = [6.7] Download1074.3419.55MEVKEQLKLKELLFIMKQMPKTFKLIFTLERSLFLKLIRFSIITGILPIVSLYISQELINSLVTIRKEVSIVITIFLTYLGVSFFSELISQISEFYNGKFQLNIGYKLNYKVMKKSSNLALKDFENPEIYDKLERVTKEISYKPYQIIQAIITMTTSFVTLLSSIAFLMSWNPKVSLLLLVIPVISLFYFLKIGQEEFFIHWKRAGKERKSWYISYILTHDFSFKELKLYNLKDYLLNKYWDIKKSFIEQDTKILRKKTLLNLIYEIAVQLVGAVIIFIAIMSAFAGKIMVGNVMSYIRSVSLVQNHSQSIMTSIYSIYNSNLYMNQLYEFLELKEEKSQGHKKPIVEPIHSVVFQNVSFIYPNQGEQTLKHINVSLHKGERVAIVGPNGSGKKTFIKLLTGLYEVHEGDILINGINIKELDMDSYMNQIAALFQDFMKYEMTLKENIGFGQIDKLHQTNKMHEVLDIVRADFLKSHSSYQFDTQLGLWFDEGRQLSGGQWQKIALARAYFREASLYILDEPSSALDPIAEKETFDTFFSLSKDKIGIFISHRLVAAKLADRIIVMDKGEIVGIGTHEELLKTCPLYKKMDESENYMNPLEEEGSKWKEALYQG
Consensus
[pKd Mean = 6.24]
-1131
(s=90)
21
(s=5)
MEVKEQLKLKELLFIMKQMPKTFKLIFTLERSLFLKLIRFSIITGILPIVSLYISQELINSLVTIRKEVSIVITIFLTYLGVSFFSELISQISEFYNGKFQLNIGYKLNYKVMKKSSNLALKDFENPEIYDKLERVTKEISYKPYQIIQAIITMTTSFVTLLSSIAFLMSWNPKVSLLLLVIPVISLFYFLKIGQEEFFIHWKRAGKERKSWYISYILTHDFSFKELKLYNLKDYLLNKYWDIKKSFIEQDTKILRKKTLLNLIYEIAVQLVGAVIIFIAIMSAFAGKIMVGNVMSYIRSVSLVQNHSQSIMTSIYSIYNSNLYMNQLYEFLELKEEKSQGHKKPIVEPIHSVVFQNVSFIYPNQGEQTLKHINVSLHKGERVAIVGPNGSGKKTFIKLLTGLYEVHEGDILINGINIKELDMDSYMNQIAALFQDFMKYEMTLKENIGFGQIDKLHQTNKMHEVLDIVRADFLKSHSSYQFDTQLGLWFDEGRQLSGGQWQKIALARAYFREASLYILDEPSSALDPIAEKETFDTFFSLSKDKIGIFISHRLVAAKLADRIIVMDKGEIVGIGTHEELLKTCPLYKKMDESENYMNPLEEEGSKWKEALYQG