Atome 2 Filter

Binding Site Prediction
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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: CDF_A_3(2VSI) / Model_2(2VSI/A) = [3.5]	Download	1128.01	12.25	MIYAGILAGGTGTRMGISNLPKQFLELGDRPILIHTIEKFVLEPSIEKIVVGVHGDWVSHAEDLVDKYLPLYKERIIITKGGADRNTSIKNIIEAIDAYRPLTPEDIVVTHDSVRPFITLRMIQDNIQLAQNHDAVDTVVEAVDTIVESTNGQFITDIPNRAHLYQGQTPQTFRCKDFMDLYGSLSDEEKEILTDACKIFVIKGKDVALAKGEYSNLKITTVTDLKIAKSMIEKD
Consensus [pKd Mean = 3.50]	-	1128 (s=0)	12 (s=0)	MIYAGILAGGTGTRMGISNLPKQFLELGDRPILIHTIEKFVLEPSIEKIVVGVHGDWVSHAEDLVDKYLPLYKERIIITKGGADRNTSIKNIIEAIDAYRPLTPEDIVVTHDSVRPFITLRMIQDNIQLAQNHDAVDTVVEAVDTIVESTNGQFITDIPNRAHLYQGQTPQTFRCKDFMDLYGSLSDEEKEILTDACKIFVIKGKDVALAKGEYSNLKITTVTDLKIAKSMIEKD

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ILE	6	CG2	4	1	2[C], 2[O],
LEU	7	CD2	16	1	4[O], 9[C], 3[N],
LEU	7	CG	18	1	6[O], 9[C], 3[N],
LEU	7	CD1	17	1	6[O], 9[C], 2[N],
THR	11	CG2	8	1	2[O], 3[N], 3[C],
PRO	21	CG	1	1	1[O],
GLN	23	OE1	13	1	1[N], 7[C], 5[O],
GLN	23	NE2	10	1	3[O], 2[N], 5[C],
GLN	23	CD	11	1	6[C], 1[N], 4[O],
GLN	23	CG	7	1	3[O], 4[C],
PHE	24	CZ	1	1	1[O],
PHE	24	CE2	1	1	1[O],
LEU	33	CD1	1	1	1[O],
THR	36	CG2	1	1	1[O],
THR	36	OG1	1	1	1[O],
VAL	51	CG1	1	1	1[O],
HIS	54	NE2	1	1	1[N],
HIS	54	CG	3	1	2[N], 1[C],
HIS	54	CD2	4	1	2[C], 2[N],
ASP	84	CG	5	1	2[N], 3[C],
ASP	84	OD1	5	1	3[C], 2[N],
ASP	84	OD2	3	1	2[C], 1[N],
ARG	85	CD	24	1	3[N], 9[C], 10[O], 2[P],
ARG	85	CZ	24	1	9[C], 2[N], 11[O], 2[P],
ARG	85	CG	23	1	2[P], 9[O], 9[C], 3[N],
ARG	85	NE	23	1	2[P], 10[O], 9[C], 2[N],
ASN	86	OD1	1	1	1[O],
THR	87	CG2	3	1	2[N], 1[C],
THR	87	OG1	3	1	2[N], 1[C],
SER	88	OG	12	1	6[C], 3[N], 3[O],
ILE	89	CG1	3	1	1[N], 1[C], 1[O],
ASN	91	ND2	1	1	1[N],
ILE	92	CG1	1	1	1[O],
ILE	92	CD1	3	1	1[N], 1[C], 1[O],
HIS	111	CG	1	1	1[O],
HIS	111	NE2	1	1	1[O],
HIS	111	CD2	1	1	1[O],
ASP	112	CG	21	1	1[N], 7[C], 11[O], 2[P],
ASP	112	OD1	21	1	7[C], 1[N], 11[O], 2[P],
ASP	112	OD2	18	1	10[O], 2[P], 5[C], 1[N],
SER	113	OG	13	1	1[N], 7[C], 5[O],
VAL	114	CG2	15	1	1[N], 5[C], 8[O], 1[P],
VAL	114	CG1	12	1	5[C], 6[O], 1[P],
ARG	115	NE	7	1	4[O], 3[C],
ARG	115	CG	4	1	3[C], 1[O],
ARG	115	CZ	5	1	3[O], 2[C],
ARG	115	CD	3	1	2[C], 1[O],
THR	169	CG2	8	1	3[C], 1[P], 4[O],
THR	169	OG1	3	1	2[C], 1[O],
GLN	171	CD	1	1	1[O],
GLN	171	OE1	1	1	1[O],
GLN	171	NE2	1	1	1[O],
THR	194	OG1	5	1	1[P], 4[O],
THR	194	CG2	3	1	2[O], 1[P],
ASP	195	OD1	4	1	1[P], 3[O],
ASP	195	CG	3	1	2[O], 1[P],
LYS	218	CD	14	1	3[C], 2[P], 9[O],
LYS	218	CG	13	1	3[C], 8[O], 2[P],
LYS	218	NZ	19	1	1[N], 6[C], 2[P], 10[O],
LYS	218	CE	17	1	10[O], 2[P], 5[C],
THR	220	OG1	11	1	3[C], 6[O], 2[P],
THR	220	CG2	7	1	5[O], 1[P], 1[C],
Total = 62


Binding Site Information :		Doc...
Information extracted from the bests complexes created by comparative docking.