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 :C2_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 C2_S1
Complex: AMP_A_6(1EFP) / Model_1(1EFP/B) = [7.9] Download527.6533.62MKALVAVKRVVDANVKVRVKPDNSGVDLTNVKMSINPFCEIAVEEAVRLKEKGTVSEIVVVSIGPKEAQEQIRSAMALGADRGILVETTDEIGALEVAKILKGVVDAEKPELILLGKQAIDDDSNQVGQMLGALLGAGQGTFASEVKVDGGKVQVTREIDGGLQTVELALPAIITTDLRLNEPRYAALPNIMKARKKPLDTKSPADYGVTAGTKLKTIKVEAPAERKAGVQVKSVDELVEKLKNEAKVI
Consensus
[pKd Mean = 7.90]		-527
(s=0)		33
(s=0)		MKALVAVKRVVDANVKVRVKPDNSGVDLTNVKMSINPFCEIAVEEAVRLKEKGTVSEIVVVSIGPKEAQEQIRSAMALGADRGILVETTDEIGALEVAKILKGVVDAEKPELILLGKQAIDDDSNQVGQMLGALLGAGQGTFASEVKVDGGKVQVTREIDGGLQTVELALPAIITTDLRLNEPRYAALPNIMKARKKPLDTKSPADYGVTAGTKLKTIKVEAPAERKAGVQVKSVDELVEKLKNEAKVI



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]
VAL5CG1211[O], 1[C],
VAL7CG2714[C], 2[N], 1[O],
VAL7CG1915[C], 2[O], 2[N],
LYS8NZ2215[N], 6[O], 1[P], 10[C],
LYS8CD23110[C], 7[O], 1[P], 5[N],
LYS8CE2115[N], 1[P], 5[O], 10[C],
LYS8CG2115[N], 1[P], 5[O], 10[C],
VAL10CG1613[N], 3[C],
ASN36ND21818[C], 6[O], 1[P], 3[N],
ASN36CG1511[P], 6[O], 1[N], 7[C],
ASN36OD11015[O], 1[P], 4[C],
PRO37CD111[O],
PHE38CE2212[O],
PHE38CD1111[O],
PHE38CE1111[O],
PHE38CZ111[O],
PHE38CD2613[C], 3[O],
PHE38CG713[O], 4[C],
CYS39SG1814[O], 4[N], 10[C],
VAL61CG1412[C], 2[N],
VAL61CG2513[C], 2[N],
SER62OG914[C], 5[N],
ILE63CG2814[N], 4[C],
ILE63CG11015[C], 5[N],
ILE63CD11115[N], 6[C],
PRO65CD111[N],
LEU85CD1111[N],
THR88OG1311[C], 2[N],
THR88CG2111[N],
THR89CG2111[N],
ILE92CG2211[N], 1[C],
ILE92CG11015[N], 5[C],
ILE92CD11015[C], 5[N],
VAL97CG121110[C], 5[N], 1[P], 5[O],
VAL97CG21815[N], 1[P], 4[O], 8[C],
ILE100CD1111[N],
LEU101CD21715[N], 2[O], 10[C],
LEU101CG1412[O], 5[N], 7[C],
LEU101CD11415[N], 2[O], 7[C],
ILE113CG2111[O],
LEU114CG111[O],
LEU115CD218110[C], 4[N], 4[O],
LEU115CG1615[O], 2[N], 9[C],
LEU115CD11813[N], 1[P], 5[O], 9[C],
LYS117CG311[C], 2[O],
GLN118CG915[O], 1[P], 3[C],
GLN118NE2211[O], 1[P],
GLN118CD611[C], 4[O], 1[P],
GLN118OE1411[P], 3[O],
ILE120CG2111[O],
ASP121CG712[N], 3[O], 1[P], 1[C],
ASP121OD2511[O], 2[N], 2[C],
ASP121OD11415[O], 1[P], 3[N], 5[C],
ASP122OD21012[N], 1[P], 4[O], 3[C],
ASP122OD1211[P], 1[O],
ASP122CG711[C], 1[N], 4[O], 1[P],
ASP123CG111[O],
ASP123OD1111[O],
SER124OG811[N], 4[O], 1[P], 2[C],
ASN125ND2714[O], 1[P], 2[C],
ASN125OD1411[C], 2[O], 1[P],
ASN125CG614[O], 1[P], 1[C],
GLN126OE1411[P], 3[O],
GLN126NE2212[O],
GLN126CG614[O], 1[P], 1[C],
GLN126CD411[P], 3[O],
VAL127CG22315[N], 7[O], 1[P], 10[C],
VAL127CG123110[C], 7[O], 1[P], 5[N],
GLN129NE2111[O],
GLN129OE1712[C], 4[O], 1[P],
GLN129CD211[O], 1[C],
MET130SD211[O], 1[P],
MET130CE111[O],
MET130CG111[O],
LEU131CD2211[O], 1[C],
THR175OG1212[C],
THR175CG21015[C], 5[O],
THR176OG1412[C], 2[O],
Total = 78



Download csv file of statistical distribution of contacts