Binding Site Information :
Doc...
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 :C3_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 C3_S1
Complex: PPV_A_3(5FNZ) / Model_11(5FNZ/A) = [4.9] Download598.897.68MKLLRLNALSPNFQLPQTAVTIGNFDGVHLGHQAMIAQLKKIAAAQGLKTLVMIFEPQPLEFFKGYDAPPRINSLREKVEYLAELGVDYIAVAKFDQHFRSMSASEFADLLKDKLNAQALVLGDDFHFGKDRQGNSEFLKNYGFQVTNLHTIELEGERVSSTRIRQVLQVGNLALAAKLLGRPYSITGRVQYGDQIGRTLDFPTINVRLNRHKPCLNGIYGVEVICETTSLTQKVLQDNPEKPGIAGYHENSLYGAGHVGTRPAIQQEHPEWRLEVHFPDVSANLYGLFMRVTFLHYLHGELNYPSLEALKAGIDNDVQQLRQYRNDTTQFPF
Consensus
[pKd Mean = 4.90]		-598
(s=0)		7
(s=0)		MKLLRLNALSPNFQLPQTAVTIGNFDGVHLGHQAMIAQLKKIAAAQGLKTLVMIFEPQPLEFFKGYDAPPRINSLREKVEYLAELGVDYIAVAKFDQHFRSMSASEFADLLKDKLNAQALVLGDDFHFGKDRQGNSEFLKNYGFQVTNLHTIELEGERVSSTRIRQVLQVGNLALAAKLLGRPYSITGRVQYGDQIGRTLDFPTINVRLNRHKPCLNGIYGVEVICETTSLTQKVLQDNPEKPGIAGYHENSLYGAGHVGTRPAIQQEHPEWRLEVHFPDVSANLYGLFMRVTFLHYLHGELNYPSLEALKAGIDNDVQQLRQYRNDTTQFPF



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]
ILE22O311[P], 2[O],
ILE22C111[O],
GLY23CA511[P], 4[O],
GLY23N312[O], 1[P],
GLY23C514[O], 1[P],
GLY23O312[O], 1[P],
ASN24CG411[P], 3[O],
ASN24OD1312[O], 1[P],
ASN24CB511[P], 4[O],
ASN24N514[O], 1[P],
ASN24O111[O],
ASN24CA514[O], 1[P],
ASN24ND2413[O], 1[P],
ASN24C413[O], 1[P],
PHE25C311[P], 2[O],
PHE25O111[O],
PHE25CZ111[O],
PHE25N514[O], 1[P],
PHE25CB111[O],
PHE25CE2111[O],
PHE25CG211[O], 1[P],
PHE25CD2111[O],
PHE25CE1111[O],
PHE25CD1111[O],
PHE25CA413[O], 1[P],
ASP26N411[P], 3[O],
ASP26O212[O],
HIS29ND1211[O], 1[P],
HIS29CG111[O],
HIS29CD2413[O], 1[P],
HIS29CE1511[P], 4[O],
HIS29NE2514[O], 1[P],
HIS32ND1512[P], 3[O],
HIS32CE1912[P], 7[O],
HIS32NE2917[O], 2[P],
HIS32CD2917[O], 2[P],
HIS32CG513[O], 2[P],
HIS32N111[O],
MET35SD212[O],
GLN58NE2111[O],
ASP125CB212[O],
ASP125C111[O],
ASP125CG715[O], 2[P],
ASP125O111[O],
ASP125OD2816[O], 2[P],
ASP125OD1614[O], 2[P],
LEU154CD2111[O],
VAL159O312[O], 1[P],
VAL159C111[O],
SER160C511[P], 4[O],
SER160O312[O], 1[P],
SER160OG413[O], 1[P],
SER160CA514[O], 1[P],
SER160CB514[O], 1[P],
SER160N211[O], 1[P],
SER161C311[P], 2[O],
SER161N511[P], 4[O],
SER161CB712[P], 5[O],
SER161OG816[O], 2[P],
SER161CA413[O], 1[P],
THR162CB111[O],
THR162OG1111[O],
THR162CA111[O],
THR162N311[P], 2[O],
Total = 64



Download csv file of statistical distribution of contacts