Study : Q9HWR2_PSEAE_ (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: KAN_A_9(1ND4) / Model_42(1ND4/A) = [3.8] Download2246.95-12.62MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF
Complex: KAN_A_9(1ND4) / Model_1(1ND4/A) = [3.8] Download2012.58-12.62MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF
Complex: KAN_A_9(1ND4) / Model_61(1ND4/A) = [3.8] Download1865.58-12.62MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF
Complex: KAN_B_10(1ND4) / Model_21(1ND4/B) = [4.9] Download1767.25-12.62MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF
Complex: ATP_A_4(4EJ7) / Model_9(4EJ7/A) = [6.7] Download1146.1115.62MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF
Consensus
[pKd Mean = 4.60]
-1807
(s=368)
-6
(s=11)
MHDAATSMPPQAPSTWADYLAGYRWRGQGEGCSAATVHRLEAARRPTLFVKQEVLSAHAELPAEIARLRWLHGAGIDCPQVLNETQSDGRQWLLMSAVPGDTLSALAQRGELEPERLVRLVAAALRRLHDLDPAACPFDHRLERRLDTVRQRVEAGLVDEADFDDDHRGRSATELYRLLLDRRPAVEDLVVAHGDACLPNLLAEGRRFSGFIDCGRLGVADRHQDLALAARDIEAELGAAWAEAFLVEYGGDIDGERLAYFRLLDEFF