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 :C2_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 C2_S1
Complex: CIT_A_4(3OBH) / Model_12(3OBH/A) = [3.3]	Download	1012.85	18.91	MKLKKEKKMAEFTFEIEEHLLTLSENEKGWTKEINRVSFNGAPAKFDIRAWSPDHTKMGKGITLSNEEFQTMVDAFKGN
Consensus [pKd Mean = 3.30]	-	1012 (s=0)	18 (s=0)	MKLKKEKKMAEFTFEIEEHLLTLSENEKGWTKEINRVSFNGAPAKFDIRAWSPDHTKMGKGITLSNEEFQTMVDAFKGN

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]
SER	24	OG	1	1	1[O],
ASN	26	CG	10	1	5[C], 5[O],
ASN	26	ND2	12	1	6[O], 6[C],
ASN	26	OD1	9	1	4[C], 5[O],
LYS	28	CG	6	1	3[C], 3[O],
LYS	28	CD	5	1	3[O], 2[C],
LYS	28	NZ	5	1	3[O], 2[C],
LYS	28	CE	3	1	1[C], 2[O],
TRP	30	CE3	13	1	7[O], 6[C],
TRP	30	CD2	13	1	6[C], 7[O],
TRP	30	CZ2	13	1	7[O], 6[C],
TRP	30	CG	13	1	7[O], 6[C],
TRP	30	CE2	13	1	7[O], 6[C],
TRP	30	NE1	11	1	5[O], 6[C],
TRP	30	CZ3	13	1	7[O], 6[C],
TRP	30	CD1	11	1	5[O], 6[C],
THR	31	OG1	1	1	1[O],
LYS	32	CE	8	1	4[O], 4[C],
LYS	32	CD	4	1	3[O], 1[C],
LYS	32	NZ	7	1	3[O], 4[C],
LYS	32	CG	4	1	3[O], 1[C],
ARG	49	CG	1	1	1[O],
PRO	53	CD	2	1	2[O],
LYS	57	CG	4	1	2[O], 2[C],
LYS	57	CE	2	1	1[O], 1[C],
LYS	57	NZ	4	1	2[O], 2[C],
LYS	57	CD	1	1	1[O],
MET	58	CG	1	1	1[O],
LYS	60	NZ	10	1	5[O], 5[C],
LYS	60	CE	10	1	5[C], 5[O],
LYS	60	CD	8	1	4[O], 4[C],
LYS	60	CG	8	1	4[C], 4[O],
Total = 32

Download csv file of statistical distribution of contacts