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 :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: 2BA_C_7(4RWW) / Model_21(4RWW/C) = [9.0] Download1082.2325.35MKIILAIIQDKDSNRLSNELIDANIRATKLSSTGGFLKAGNSTFIVGIEDDRVEEALEIIKKTCESRKQFVSTPVTLDISMDGGVPYPVEVEVGGATVFVLPVEGFHQF
Consensus
[pKd Mean = 9.00]		-1082
(s=0)		25
(s=0)		MKIILAIIQDKDSNRLSNELIDANIRATKLSSTGGFLKAGNSTFIVGIEDDRVEEALEIIKKTCESRKQFVSTPVTLDISMDGGVPYPVEVEVGGATVFVLPVEGFHQF



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]
ILE7CG11814[N], 4[O], 10[C],
ILE7CG22416[O], 4[N], 10[C], 2[P],
ILE7CD11914[O], 5[N], 10[C],
GLN9CG612[C], 3[O],
GLN9OE1411[P], 1[C], 1[O],
GLN9CD311[O], 1[C],
SER32OG111[O],
THR33CG2513[O], 1[P],
PHE36CD12412[O], 5[N], 1[P], 6[C],
PHE36CE22011[P], 5[C], 5[N], 1[O],
PHE36CG2511[P], 6[C], 3[O], 5[N],
PHE36CZ2111[P], 5[C], 1[O], 5[N],
PHE36CE12211[O], 5[N], 5[C], 1[P],
PHE36CD22211[P], 5[C], 5[N], 2[O],
LEU37CG2313[O], 3[N], 6[C], 1[P],
LEU37CD12113[O], 1[N], 2[P], 5[C],
LEU37CD21913[C], 1[P], 3[N], 2[O],
LYS38CG311[O], 1[P],
ASN41OD11311[P], 5[C], 4[O], 2[N],
ASN41ND22112[P], 7[C], 5[O], 2[N],
ASN41CG1615[C], 1[P], 2[N], 5[O],
THR43OG1915[C], 2[O], 2[N],
SER66OG311[O],
GLN69CG311[C],
VAL71CG2311[C], 1[O], 1[N],
VAL91CG11915[C], 1[O], 4[N],
VAL91CG22412[P], 5[C], 3[N], 5[O],
GLU92CG711[P], 1[O],
GLU92CD211[O],
GLU92OE2111[O],
GLU92OE1111[O],
VAL93CG12412[P], 5[C], 7[O],
VAL93CG22212[P], 4[C], 5[O], 1[N],
THR97OG12915[N], 7[O], 10[C], 2[P],
THR97CG223110[C], 1[P], 7[O], 5[N],
PHE99CE21317[C], 1[O], 5[N],
PHE99CG714[C], 3[N],
PHE99CZ1215[N], 1[O], 6[C],
PHE99CE11015[N], 5[C],
PHE99CD21216[C], 1[O], 5[N],
PHE99CD1814[N], 4[C],
Total = 41



Download csv file of statistical distribution of contacts