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: F3S_A_3(1AXQ) / Model_117(1AXQ/A) = [3.9]	Download	-	-	MTFVVTENCIKCKYQDCVEVCPVDCFYEGPNFLVINPDECIDCALCEPECPANAIFSEDELPEGQEVFIELNAELSQKWPNITQIGEQPADREEWNGKPDKLQYLEK
Consensus [pKd Mean = 3.90]	-	0 (s=0)	0 (s=0)	MTFVVTENCIKCKYQDCVEVCPVDCFYEGPNFLVINPDECIDCALCEPECPANAIFSEDELPEGQEVFIELNAELSQKWPNITQIGEQPADREEWNGKPDKLQYLEK

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]
VAL	5	CG1	7	1	3[F], 4[S],
VAL	5	CG2	7	1	3[F], 4[S],
ASN	8	ND2	2	1	1[F], 1[S],
ASN	8	CG	1	1	1[S],
ASN	8	OD1	1	1	1[S],
CYS	9	SG	7	1	3[F], 4[S],
ILE	10	CG1	1	1	1[F],
CYS	12	SG	3	1	2[F], 1[S],
LYS	13	CE	2	1	1[F], 1[S],
LYS	13	CD	3	1	2[S], 1[F],
LYS	13	NZ	1	1	1[S],
LYS	13	CG	7	1	3[F], 4[S],
TYR	14	CD2	7	1	3[F], 4[S],
TYR	14	CZ	4	1	2[F], 2[S],
TYR	14	CG	7	1	3[F], 4[S],
TYR	14	CE1	3	1	1[F], 2[S],
TYR	14	CD1	6	1	3[F], 3[S],
TYR	14	CE2	7	1	3[F], 4[S],
GLN	15	CD	4	1	2[F], 2[S],
GLN	15	NE2	2	1	1[S], 1[F],
GLN	15	CG	7	1	3[F], 4[S],
GLN	15	OE1	2	1	1[F], 1[S],
ASP	16	OD2	5	1	3[S], 2[F],
ASP	16	CG	5	1	3[S], 2[F],
ASP	16	OD1	2	1	1[S], 1[F],
CYS	17	SG	7	1	4[S], 3[F],
VAL	18	CG2	3	1	1[F], 2[S],
VAL	18	CG1	5	1	3[S], 2[F],
PHE	26	CD2	3	1	2[S], 1[F],
PHE	26	CE1	6	1	3[S], 3[F],
PHE	26	CZ	6	1	3[F], 3[S],
PHE	26	CD1	6	1	3[S], 3[F],
PHE	26	CG	4	1	3[S], 1[F],
PHE	26	CE2	4	1	1[F], 3[S],
GLU	28	CG	1	1	1[S],
PHE	32	CG	3	1	1[F], 2[S],
PHE	32	CD2	1	1	1[F],
PHE	32	CD1	4	1	1[F], 3[S],
PHE	32	CE1	4	1	1[F], 3[S],
PHE	32	CZ	2	1	1[F], 1[S],
PHE	32	CE2	1	1	1[F],
LEU	33	CD1	7	1	4[S], 3[F],
LEU	33	CD2	7	1	3[F], 4[S],
LEU	33	CG	7	1	4[S], 3[F],
ILE	35	CD1	2	1	1[F], 1[S],
ILE	35	CG1	2	1	1[S], 1[F],
CYS	46	SG	2	1	1[S], 1[F],
GLU	49	CG	1	1	1[S],
CYS	50	SG	7	1	4[S], 3[F],
PRO	51	CG	6	1	3[F], 3[S],
PRO	51	CD	7	1	4[S], 3[F],
ILE	55	CG2	3	1	2[F], 1[S],
ILE	55	CD1	7	1	4[S], 3[F],
ILE	55	CG1	7	1	4[S], 3[F],
ILE	82	CG2	1	1	1[S],
ILE	82	CD1	1	1	1[S],
ILE	85	CD1	1	1	1[S],
ILE	85	CG1	3	1	2[S], 1[F],
PRO	89	CD	3	1	2[S], 1[F],
PRO	89	CG	3	1	1[F], 2[S],
ARG	92	NE	2	1	2[S],
ARG	92	CD	5	1	3[S], 2[F],
ARG	92	CZ	2	1	2[S],
ARG	92	CG	2	1	1[S], 1[F],
ASN	96	OD1	1	1	1[S],
ASN	96	CG	1	1	1[S],
ASN	96	ND2	1	1	1[S],
LYS	101	NZ	1	1	1[S],
Total = 68

Download csv file of statistical distribution of contacts