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 :C1_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 C1_S1
Complex: ADP_A_6(1VHL) / Model_1(1VHL/A) = [7.7] Download988.046.00MSELSKAKNRKVGFVLGLTGGIATGKSTAAKVFQSHGFPLIDGDVIARETVEPGTLALRKIVSVFGQEVLQPDGQLDRGKLGMIVFPSKEKRQKLDQLLDPFIRKAIKDQIASLSSNHPLVIVDIPLLYEGHYDHYMDAVAVVYTTPETQLQRLMKRNQLTLEQAQQRISSQLPIEEKKQRADILFDNNGTKEKLVGQIENWLFANRFL
Consensus
[pKd Mean = 7.70]		-988
(s=0)		6
(s=0)		MSELSKAKNRKVGFVLGLTGGIATGKSTAAKVFQSHGFPLIDGDVIARETVEPGTLALRKIVSVFGQEVLQPDGQLDRGKLGMIVFPSKEKRQKLDQLLDPFIRKAIKDQIASLSSNHPLVIVDIPLLYEGHYDHYMDAVAVVYTTPETQLQRLMKRNQLTLEQAQQRISSQLPIEEKKQRADILFDNNGTKEKLVGQIENWLFANRFL



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]
LEU18CG111[O],
LEU18CD2212[O],
ILE22CG2411[P], 3[O],
ILE22CG1815[O], 2[P], 1[C],
ILE22CD1413[O], 1[P],
THR24OG11011[C], 7[O], 2[P],
THR24CG2815[O], 2[P], 1[C],
LYS26CD712[P], 5[O],
LYS26NZ1017[O], 2[P], 1[C],
LYS26CE812[P], 6[O],
LYS26CG917[O], 2[P],
SER27OG1313[C], 2[P], 8[O],
THR28OG127110[O], 2[P], 5[N], 10[C],
THR28CG222110[C], 6[O], 1[P], 5[N],
LYS31CE212[O],
LYS31CG111[O],
LYS31NZ413[O], 1[C],
LYS31CD111[O],
ASP44OD2111[O],
ASP124OD1312[O], 1[P],
ASP124CG311[P], 2[O],
ASP124OD2514[O], 1[P],
PRO126CG413[O], 1[P],
VAL143CG1715[O], 2[P],
VAL143CG2811[N], 2[P], 4[O], 1[C],
THR145OG1111[O],
THR145CG21115[C], 3[N], 3[O],
THR149OG1412[C], 2[N],
THR149CG21518[C], 5[N], 2[O],
GLN150NE2212[O],
GLN150CG212[O],
ARG153CZ1815[N], 3[O], 10[C],
ARG153NE1914[O], 5[N], 10[C],
ARG153CG2115[O], 1[P], 5[N], 10[C],
ARG153CD2315[N], 1[P], 7[O], 10[C],
LEU154CG412[C], 2[O],
LEU154CD11012[P], 5[O], 3[C],
LEU154CD2111[O],
LYS156CG612[O], 1[N], 3[C],
LYS156CE814[C], 1[N], 3[O],
LYS156CD1011[N], 3[O], 6[C],
LYS156NZ1013[N], 3[O], 4[C],
ARG157NE1712[P], 10[O], 5[C],
ARG157CD19110[O], 2[P], 1[N], 6[C],
ARG157CZ1715[C], 10[O], 2[P],
ARG157CG1719[O], 2[P], 1[N], 5[C],
ASN158ND2211[O], 1[C],
ASN158CG212[O],
ASN158OD1512[C], 3[O],
GLN172NE2111[O],
GLN172OE1111[O],
LYS178NZ111[O],
ASP187OD1111[N],
ASN188OD11517[C], 5[N], 3[O],
ASN188ND22415[N], 2[P], 7[O], 10[C],
ASN188CG2019[C], 5[N], 1[P], 5[O],
THR191CG2311[C], 2[N],
THR191OG1312[N], 1[C],
LYS192CE1613[O], 5[N], 8[C],
LYS192NZ1615[N], 3[O], 8[C],
LYS192CD1518[C], 2[O], 5[N],
LYS192CG1412[O], 5[N], 7[C],
LYS194CG111[N],
LEU195CG814[C], 4[N],
LEU195CD11317[C], 5[N], 1[O],
LEU195CD2814[C], 4[N],
Total = 66



Download csv file of statistical distribution of contacts