Study : SA0085 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: FMN_A_5(1VHN) / Model_5(1VHN/A) = [4.7] Download1118.4910.17MKENFWSELPRPFFILAPMEDVTDIVFRHVVSEAARPDVFFTEFTNTESFCHPEGIHSVRGRLTFSEDEHPMVAHIWGDKPEQFRETSIQLAKMGFKGIDLNMGCPVANVAKKGKGSGLILRPDVAAEIIQATKAGGLPVSVKTRLGYYEIDEWKDWLKHVFEQDIANLSIHLRTRKEMSKVDAHWELIEAIKNLRDEIAPNTLLTINGDIPDRKTGLELAEKYGIDGVMIGRGIFHNPFAFEKEPREHTSKELLDLLRLHLSLFNKYEKDEIRQFKSLRRFFKIYVRGIRGASELRHQLMNTQSIAEARALLDEFEAQMDEDVKIEL
Complex: FMN_A_2(4BF9) / Model_8(4BF9/A) = [9.2] Download1137.491.76MKENFWSELPRPFFILAPMEDVTDIVFRHVVSEAARPDVFFTEFTNTESFCHPEGIHSVRGRLTFSEDEHPMVAHIWGDKPEQFRETSIQLAKMGFKGIDLNMGCPVANVAKKGKGSGLILRPDVAAEIIQATKAGGLPVSVKTRLGYYEIDEWKDWLKHVFEQDIANLSIHLRTRKEMSKVDAHWELIEAIKNLRDEIAPNTLLTINGDIPDRKTGLELAEKYGIDGVMIGRGIFHNPFAFEKEPREHTSKELLDLLRLHLSLFNKYEKDEIRQFKSLRRFFKIYVRGIRGASELRHQLMNTQSIAEARALLDEFEAQMDEDVKIEL
Consensus
[pKd Mean = 6.95]
-1127
(s=9)
5
(s=4)
MKENFWSELPRPFFILAPMEDVTDIVFRHVVSEAARPDVFFTEFTNTESFCHPEGIHSVRGRLTFSEDEHPMVAHIWGDKPEQFRETSIQLAKMGFKGIDLNMGCPVANVAKKGKGSGLILRPDVAAEIIQATKAGGLPVSVKTRLGYYEIDEWKDWLKHVFEQDIANLSIHLRTRKEMSKVDAHWELIEAIKNLRDEIAPNTLLTINGDIPDRKTGLELAEKYGIDGVMIGRGIFHNPFAFEKEPREHTSKELLDLLRLHLSLFNKYEKDEIRQFKSLRRFFKIYVRGIRGASELRHQLMNTQSIAEARALLDEFEAQMDEDVKIEL