Study : PA5565 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: FAD_B_4(2ZXH) / Model_25(2ZXH/B) = [10.5] Download459.2911.16MDFPTRFDVIVIGGGHAGTEAALAAARMGVKTLLLTHNVETLGQMSCNPAIGGIGKSHLVKEIDALGGAMAEATDKGGIQFRILNSRKGPAVRATRAQADRVLYKAAIRHTLENQPNLWIFQQACDDLIVEQDQVRGVVTQMGLRFHADNVVLTTGTFLGGLIHIGLENYSGGRAGDPPSIALARRLRELPLRVGRLKTGTPPRIDGRSVDFSVMTEQPGDTPIPVMSFLGSKEQHPEQVSCWITHTNARTHEIIAANLDRSPMYSGVIEGIGPRYCPSIEDKIHRFADKESHQVFLEPEGLTTHELYPNGISTSLPFDVQLQIVRSIRGMENAHIVRPGYAIEYDFFDPRDLRYSLETKVIGGLFFAGQINGTTGYEEAGAQGLLAGANAALRSQGKDSWCPRRDEAYIGVLVDDLITLGTQEPYRMFTSRAEYRLILREDNADLRLTEKGRELGLVDDRRWAAFEAKREGIEREEQRLKSTWVRPNTPQGDAIAERFGTPLTHEYNLLNLLSRPEIDYAGLVEITGNAVDNPQVAEQVEIRTKYAGYIDRQQEEISRLRASEDTRLPVDIDYLGISGLSKEIQNKLNQARPETLGQASRIPGVTPAAISLLLIHLKKRASGRQLEQSA
Complex: FAD_A_3(2ZXH) / Model_4(2ZXH/A) = [12.8] Download512.5413.93MDFPTRFDVIVIGGGHAGTEAALAAARMGVKTLLLTHNVETLGQMSCNPAIGGIGKSHLVKEIDALGGAMAEATDKGGIQFRILNSRKGPAVRATRAQADRVLYKAAIRHTLENQPNLWIFQQACDDLIVEQDQVRGVVTQMGLRFHADNVVLTTGTFLGGLIHIGLENYSGGRAGDPPSIALARRLRELPLRVGRLKTGTPPRIDGRSVDFSVMTEQPGDTPIPVMSFLGSKEQHPEQVSCWITHTNARTHEIIAANLDRSPMYSGVIEGIGPRYCPSIEDKIHRFADKESHQVFLEPEGLTTHELYPNGISTSLPFDVQLQIVRSIRGMENAHIVRPGYAIEYDFFDPRDLRYSLETKVIGGLFFAGQINGTTGYEEAGAQGLLAGANAALRSQGKDSWCPRRDEAYIGVLVDDLITLGTQEPYRMFTSRAEYRLILREDNADLRLTEKGRELGLVDDRRWAAFEAKREGIEREEQRLKSTWVRPNTPQGDAIAERFGTPLTHEYNLLNLLSRPEIDYAGLVEITGNAVDNPQVAEQVEIRTKYAGYIDRQQEEISRLRASEDTRLPVDIDYLGISGLSKEIQNKLNQARPETLGQASRIPGVTPAAISLLLIHLKKRASGRQLEQSA
Consensus
[pKd Mean = 11.65]
-485
(s=26)
12
(s=1)
MDFPTRFDVIVIGGGHAGTEAALAAARMGVKTLLLTHNVETLGQMSCNPAIGGIGKSHLVKEIDALGGAMAEATDKGGIQFRILNSRKGPAVRATRAQADRVLYKAAIRHTLENQPNLWIFQQACDDLIVEQDQVRGVVTQMGLRFHADNVVLTTGTFLGGLIHIGLENYSGGRAGDPPSIALARRLRELPLRVGRLKTGTPPRIDGRSVDFSVMTEQPGDTPIPVMSFLGSKEQHPEQVSCWITHTNARTHEIIAANLDRSPMYSGVIEGIGPRYCPSIEDKIHRFADKESHQVFLEPEGLTTHELYPNGISTSLPFDVQLQIVRSIRGMENAHIVRPGYAIEYDFFDPRDLRYSLETKVIGGLFFAGQINGTTGYEEAGAQGLLAGANAALRSQGKDSWCPRRDEAYIGVLVDDLITLGTQEPYRMFTSRAEYRLILREDNADLRLTEKGRELGLVDDRRWAAFEAKREGIEREEQRLKSTWVRPNTPQGDAIAERFGTPLTHEYNLLNLLSRPEIDYAGLVEITGNAVDNPQVAEQVEIRTKYAGYIDRQQEEISRLRASEDTRLPVDIDYLGISGLSKEIQNKLNQARPETLGQASRIPGVTPAAISLLLIHLKKRASGRQLEQSA