Study : bsu03560 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: N5F_A_3(3CBF) / Model_12(3CBF/A) = [6.5] Download871.2335.88MEKYMSLLTRIEEMMQSTSYQEGDRLPSIRQLSARYQVSKSTVIRALQELEKRHLIYSVPKSGYYIVKKSGKSKSGQPGPIDFATSAPDPDVFPYLDFQHCINKAIDTYKNDLFIYGTPKGLPSLIRVLRKLLATQQVFADERHIFITSGVQQALSLLCAMPFPNGKEKIAIEQPGYHLMVEQLETLGIPAIGVKRTEEGLDIAKVERLFQTESIKFFYTMPRFHNPLGCSLSERDKQELVRLAEAYDVYLVEDDYLGDLEENKKADPLYAYDLSSHVIYLKSFSKMMFPGLRVGAAVLPEALTDTFYAYKKLNDIDCSMISQAALEIYLKSGMYGRHKEKIRDSYKERSLRLHQAIRTHRQLGSGRFTFSSGQAPCMHTHLVLPQDLPASRVIHRLEKQGVLLEAIDRHYLSDYPKENLLKINISNVKTEDIERGVKLLMSHL
Complex: PGU_A_3(2ZYJ) / Model_13(2ZYJ/A) = [8.5] Download991.5736.04MEKYMSLLTRIEEMMQSTSYQEGDRLPSIRQLSARYQVSKSTVIRALQELEKRHLIYSVPKSGYYIVKKSGKSKSGQPGPIDFATSAPDPDVFPYLDFQHCINKAIDTYKNDLFIYGTPKGLPSLIRVLRKLLATQQVFADERHIFITSGVQQALSLLCAMPFPNGKEKIAIEQPGYHLMVEQLETLGIPAIGVKRTEEGLDIAKVERLFQTESIKFFYTMPRFHNPLGCSLSERDKQELVRLAEAYDVYLVEDDYLGDLEENKKADPLYAYDLSSHVIYLKSFSKMMFPGLRVGAAVLPEALTDTFYAYKKLNDIDCSMISQAALEIYLKSGMYGRHKEKIRDSYKERSLRLHQAIRTHRQLGSGRFTFSSGQAPCMHTHLVLPQDLPASRVIHRLEKQGVLLEAIDRHYLSDYPKENLLKINISNVKTEDIERGVKLLMSHL
Consensus
[pKd Mean = 7.50]
-931
(s=60)
35
(s=0)
MEKYMSLLTRIEEMMQSTSYQEGDRLPSIRQLSARYQVSKSTVIRALQELEKRHLIYSVPKSGYYIVKKSGKSKSGQPGPIDFATSAPDPDVFPYLDFQHCINKAIDTYKNDLFIYGTPKGLPSLIRVLRKLLATQQVFADERHIFITSGVQQALSLLCAMPFPNGKEKIAIEQPGYHLMVEQLETLGIPAIGVKRTEEGLDIAKVERLFQTESIKFFYTMPRFHNPLGCSLSERDKQELVRLAEAYDVYLVEDDYLGDLEENKKADPLYAYDLSSHVIYLKSFSKMMFPGLRVGAAVLPEALTDTFYAYKKLNDIDCSMISQAALEIYLKSGMYGRHKEKIRDSYKERSLRLHQAIRTHRQLGSGRFTFSSGQAPCMHTHLVLPQDLPASRVIHRLEKQGVLLEAIDRHYLSDYPKENLLKINISNVKTEDIERGVKLLMSHL