Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: AMP_A_3(4EEI) / Model_49(4EEI/A) = [4.7] Download958.017.29MLERYTRPEMGNIWTEENKYRAWLEVEILADEAWAELGEIPQEDVKKIREHASFDIDRILEIEKLTRHDVVAFTRAVSETLGEERKWVHYGLTSTDVVDTAYGYLIKQANDILREDLKRFTEIIGEKAKEHKYTVMMGRTHGVHAEPTTFGLKLATWYSEMKRNIERFEHAAKGVEAGKISGAVGTFANIPPFIEEYVCKQLGIRPQEISTQVLPRDLHAEYFSAMALIATSIERFATEIRGLQKSETREVEEFFAKGQKGSSAMPHKRNPIGSENMAGLARVVRGHMVTAYENVTLWHERDISHSSAERIILPDTTILLNYMLNRFGNIVKNLTVFPENMKRNMSATFGLIYSQRVMLKLIDKGMTREEAYDLVQPKTAYAWDNQVQFRPLLEEDPTITSVLSKEEIDDAFDYHHHLKNVDVIFKRVGLE
Consensus
[pKd Mean = 4.70]		-958
(s=0)		7
(s=0)		MLERYTRPEMGNIWTEENKYRAWLEVEILADEAWAELGEIPQEDVKKIREHASFDIDRILEIEKLTRHDVVAFTRAVSETLGEERKWVHYGLTSTDVVDTAYGYLIKQANDILREDLKRFTEIIGEKAKEHKYTVMMGRTHGVHAEPTTFGLKLATWYSEMKRNIERFEHAAKGVEAGKISGAVGTFANIPPFIEEYVCKQLGIRPQEISTQVLPRDLHAEYFSAMALIATSIERFATEIRGLQKSETREVEEFFAKGQKGSSAMPHKRNPIGSENMAGLARVVRGHMVTAYENVTLWHERDISHSSAERIILPDTTILLNYMLNRFGNIVKNLTVFPENMKRNMSATFGLIYSQRVMLKLIDKGMTREEAYDLVQPKTAYAWDNQVQFRPLLEEDPTITSVLSKEEIDDAFDYHHHLKNVDVIFKRVGLE



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
LYS19NZ111[O],
GLU63OE1914[C], 5[O],
GLU63OE21417[O], 1[P], 5[C], 1[N],
GLU63CD1115[C], 1[P], 5[O],
GLU63CG814[C], 4[O],
THR66OG1312[O], 1[C],
ARG67CD212[O],
ARG67CG412[C], 2[O],
HIS68CE118110[C], 3[O], 5[N],
HIS68CG1813[O], 10[C], 5[N],
HIS68NE21813[O], 10[C], 5[N],
HIS68ND11813[O], 10[C], 5[N],
HIS68CD21815[N], 3[O], 10[C],
ASP69OD21712[N], 7[C], 1[P], 7[O],
ASP69OD12214[N], 1[P], 10[C], 7[O],
ASP69CG2017[O], 9[C], 1[P], 3[N],
VAL70CG21714[N], 3[O], 10[C],
VAL70CG1813[N], 1[O], 4[C],
VAL71CG2612[N], 1[O], 3[C],
THR93OG1814[N], 4[C],
THR93CG2412[C], 2[N],
SER94OG1215[N], 1[O], 6[C],
THR95CG21115[N], 5[C], 1[O],
THR95OG1714[C], 3[N],
VAL98CG21013[N], 1[O], 6[C],
VAL98CG1311[C], 2[N],
ASP99OD1111[C],
LYS179NZ111[N],
GLN212OE11015[C], 5[N],
GLN212CG814[N], 4[C],
GLN212NE2814[C], 4[N],
GLN212CD914[N], 5[C],
VAL213CG1412[N], 2[C],
ARG301NE1015[N], 5[C],
ARG301CD1015[N], 5[C],
ARG301CG814[C], 4[N],
ARG301CZ1215[N], 6[C], 1[O],
ILE303CG22315[N], 10[C], 1[P], 7[O],
ILE303CD12315[N], 1[P], 10[C], 7[O],
ILE303CG12315[N], 10[C], 1[P], 7[O],
HIS305CE1211[C], 1[O],
HIS305ND1111[O],
HIS305NE2311[O], 1[C], 1[N],
SER306OG1611[P], 7[C], 6[O], 2[N],
SER307OG614[O], 1[P], 1[C],
ARG310NE1013[C], 1[P], 6[O],
ARG310CG611[C], 1[P], 4[O],
ARG310CD711[P], 2[C], 4[O],
ARG310CZ1211[P], 5[C], 6[O],
Total = 49



Download csv file of statistical distribution of contacts