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 :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: IPL_A_6(1WXJ) / Model_8(1WXJ/A) = [5.4] Download820.0140.18MPKTLTEKLNAIKATGKGIFVPYIMAGDHEKGLDGLGETIHFLEDLGVSAIEVGIPFSDPVADGPVIEEAGLRSLAHGTSTQALVETLKTIETEIPLVIMTYFNPLFQYGVENFVKDLADTAVKGLIIPDLPHEHANFVEPFLADTDIALIPLVSLTTGIERQKELIEGAEGFVYAVAINGVTGKSGNYRADLDKHLAQLHQVADIPVLTGFGVSSQADLERFNAVSDGVIVGSKIVKALHQGEPIQDFIRQAVAYQK
Consensus
[pKd Mean = 5.40]		-820
(s=0)		40
(s=0)		MPKTLTEKLNAIKATGKGIFVPYIMAGDHEKGLDGLGETIHFLEDLGVSAIEVGIPFSDPVADGPVIEEAGLRSLAHGTSTQALVETLKTIETEIPLVIMTYFNPLFQYGVENFVKDLADTAVKGLIIPDLPHEHANFVEPFLADTDIALIPLVSLTTGIERQKELIEGAEGFVYAVAINGVTGKSGNYRADLDKHLAQLHQVADIPVLTGFGVSSQADLERFNAVSDGVIVGSKIVKALHQGEPIQDFIRQAVAYQK



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]
TYR23CD21411[N], 8[C], 4[O], 1[P],
TYR23CZ1211[O], 10[C], 1[N],
TYR23CE113111[C], 1[N], 1[O],
TYR23CE21311[N], 9[C], 2[O], 1[P],
TYR23CG1418[C], 1[N], 1[P], 4[O],
TYR23CD11311[N], 9[C], 2[O], 1[P],
MET25CE716[C], 1[N],
MET25SD211[C], 1[N],
GLU52CD717[C],
GLU52CG414[C],
GLU52OE11111[N], 9[C], 1[O],
GLU52OE2717[C],
VAL66CG2111[O],
VAL66CG1311[P], 2[O],
ILE67CG11711[P], 4[O], 11[C], 1[N],
ILE67CD11519[C], 1[N], 1[P], 4[O],
ILE67CG21511[N], 11[C], 2[O], 1[P],
MET100SD1111[N], 10[C],
MET100CG1111[N], 10[C],
MET100CE11110[C], 1[N],
TYR102CZ918[C], 1[N],
TYR102CE1817[C], 1[N],
TYR102CD1514[C], 1[N],
TYR102CG411[N], 3[C],
TYR102CD2514[C], 1[N],
TYR102CE2918[C], 1[N],
ILE127CG21011[N], 9[C],
ILE127CD1414[C],
PRO129CD911[N], 8[C],
PRO129CG918[C], 1[N],
LEU153CD21011[N], 9[C],
LEU153CD1818[C],
LEU153CG818[C],
TYR175CE21411[P], 3[O], 10[C],
TYR175CZ16111[C], 1[N], 1[P], 3[O],
TYR175CD2811[O], 7[C],
TYR175CD11211[N], 11[C],
TYR175CE11511[P], 2[O], 11[C], 1[N],
TYR175CG919[C],
VAL177CG2515[C],
VAL177CG115111[C], 1[N], 1[P], 2[O],
PHE212CE2111[O],
PHE212CG411[P], 3[O],
PHE212CD2311[P], 2[O],
PHE212CD1111[O],
VAL214CG2411[P], 3[O],
VAL214CG1211[P], 1[O],
VAL230CG1212[O],
ILE231CG21217[C], 4[O], 1[P],
ILE231CG11013[O], 1[P], 6[C],
ILE231CD11213[O], 1[P], 8[C],
VAL232CG2511[C], 3[O], 1[P],
VAL232CG1611[C], 4[O], 1[P],
SER234OG1214[O], 1[P], 1[N], 6[C],
LYS235CG111[O],
ILE236CG1111[O],
ILE236CD1111[O],
VAL237CG2312[O], 1[C],
ILE250CD1111[O],
Total = 59



Download csv file of statistical distribution of contacts