Atome 2 Filter


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 :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: ADK_D_15(4AIA) / Model_23(4AIA/D) = [3.1]	Download	257.84	39.64	MTKRCSWVKMTNPLYIAYHDEEWGQPLHDDQALFELLCMETYQAGLSWETVLNKRQAFREAFHSYQIHSVAEMTDTELEAMLENPAIIRNRAKIFATRANAQAFLQLQAEYGSFDAYLWSFVEGKTVVNDVPDYRQAPAKTPLSEKLAKDLKKRGFKFTGPVAVLSFLQAAGLVDDHENDCEWKGLK
Consensus [pKd Mean = 3.10]	-	257 (s=0)	39 (s=0)	MTKRCSWVKMTNPLYIAYHDEEWGQPLHDDQALFELLCMETYQAGLSWETVLNKRQAFREAFHSYQIHSVAEMTDTELEAMLENPAIIRNRAKIFATRANAQAFLQLQAEYGSFDAYLWSFVEGKTVVNDVPDYRQAPAKTPLSEKLAKDLKKRGFKFTGPVAVLSFLQAAGLVDDHENDCEWKGLK

Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
TYR	15	CZ	11	1	6[C], 5[N],
TYR	15	CD2	4	1	2[N], 2[C],
TYR	15	CG	4	1	2[C], 2[N],
TYR	15	CE2	8	1	5[C], 3[N],
TYR	15	CE1	11	1	6[C], 5[N],
TYR	15	CD1	8	1	3[N], 5[C],
TYR	18	CG	6	1	3[N], 3[C],
TYR	18	CE2	11	1	5[N], 6[C],
TYR	18	CD2	9	1	4[N], 5[C],
TYR	18	CE1	7	1	3[C], 4[N],
TYR	18	CD1	4	1	2[C], 2[N],
TYR	18	CZ	11	1	6[C], 5[N],
HIS	19	ND1	2	1	1[C], 1[N],
HIS	19	CE1	1	1	1[C],
HIS	19	CG	1	1	1[C],
TRP	23	CD2	8	1	3[N], 5[C],
TRP	23	CZ2	11	1	5[N], 6[C],
TRP	23	CZ3	5	1	2[N], 3[C],
TRP	23	CD1	11	1	5[N], 6[C],
TRP	23	CE3	6	1	3[N], 3[C],
TRP	23	NE1	11	1	5[N], 6[C],
TRP	23	CG	9	1	4[N], 5[C],
TRP	23	CE2	11	1	6[C], 5[N],
LEU	36	CD2	2	1	1[N], 1[C],
LEU	36	CG	2	1	1[C], 1[N],
LEU	36	CD1	5	1	2[C], 3[N],
MET	39	CE	1	1	1[N],
GLU	40	CG	8	1	4[N], 4[C],
GLU	40	CD	10	1	5[N], 5[C],
GLU	40	OE2	11	1	6[C], 5[N],
GLU	40	OE1	11	1	5[N], 6[C],
GLN	43	OE1	11	1	5[N], 6[C],
GLN	43	CD	11	1	6[C], 5[N],
GLN	43	CG	9	1	5[C], 4[N],
GLN	43	NE2	11	1	5[N], 6[C],
TRP	48	NE1	11	1	6[C], 5[N],
TRP	48	CD1	11	1	6[C], 5[N],
TRP	48	CG	11	1	5[N], 6[C],
TRP	48	CE2	11	1	6[C], 5[N],
TRP	48	CE3	11	1	5[N], 6[C],
TRP	48	CD2	11	1	6[C], 5[N],
TRP	48	CZ3	11	1	5[N], 6[C],
TRP	48	CZ2	11	1	5[N], 6[C],
VAL	51	CG2	2	1	1[C], 1[N],
VAL	51	CG1	1	1	1[N],
LEU	52	CD1	3	1	2[N], 1[C],
LEU	52	CD2	4	1	2[C], 2[N],
LEU	52	CG	2	1	2[N],
LYS	140	CE	8	1	3[N], 5[C],
LYS	140	CD	2	1	1[N], 1[C],
LYS	140	NZ	11	1	6[C], 5[N],
VAL	162	CG1	2	1	1[N], 1[C],
SER	166	OG	11	1	6[C], 5[N],
PHE	167	CG	1	1	1[N],
PHE	167	CD1	1	1	1[N],
GLN	169	OE1	11	1	6[C], 5[N],
GLN	169	CG	5	1	2[N], 3[C],
GLN	169	CD	11	1	5[N], 6[C],
Total = 58

Download csv file of statistical distribution of contacts