Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: GTP_B_6(1SVW) / Model_21(1SVW/B) = [7.1]	Download	1045.27	11.12	MKVHQAEIIISAVAPKQYPDTQLPEIALAGRSNVGKSSFINTLIDRKNLARTSGKPGKTQTLNFYLIENALHFVDVPGYGYAKVSKTERAKWGKMIETYLTTRDQLRAVVSLVDLRHKPSQEDIQMYQFLKYYDIPVIVVATKADKIPRGKWNKHESEIKKALDFDRNDTFILFSSVTKQGKEEAWAAIEQAIES
Complex: GDP_B_2(1SVI) / Model_63(1SVI/A) = [6.7]	Download	840.10	2.53	MKVHQAEIIISAVAPKQYPDTQLPEIALAGRSNVGKSSFINTLIDRKNLARTSGKPGKTQTLNFYLIENALHFVDVPGYGYAKVSKTERAKWGKMIETYLTTRDQLRAVVSLVDLRHKPSQEDIQMYQFLKYYDIPVIVVATKADKIPRGKWNKHESEIKKALDFDRNDTFILFSSVTKQGKEEAWAAIEQAIES
Consensus [pKd Mean = 6.90]	-	942 (s=102)	6 (s=4)	MKVHQAEIIISAVAPKQYPDTQLPEIALAGRSNVGKSSFINTLIDRKNLARTSGKPGKTQTLNFYLIENALHFVDVPGYGYAKVSKTERAKWGKMIETYLTTRDQLRAVVSLVDLRHKPSQEDIQMYQFLKYYDIPVIVVATKADKIPRGKWNKHESEIKKALDFDRNDTFILFSSVTKQGKEEAWAAIEQAIES

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LEU	28	CD1	2	2	2[O],
LEU	28	CG	2	2	2[O],
ARG	31	CG	3	2	3[O],
SER	32	OG	13	2	3[P], 10[O],
ASN	33	CG	41	2	12[C], 5[P], 2[N], 22[O],
ASN	33	OD1	39	2	11[C], 5[P], 1[N], 22[O],
ASN	33	ND2	39	2	13[C], 5[P], 2[N], 19[O],
VAL	34	CG1	27	2	5[C], 5[P], 3[N], 14[O],
VAL	34	CG2	15	2	2[P], 2[C], 9[O], 2[N],
LYS	36	NZ	17	2	13[O], 4[P],
LYS	36	CG	19	2	5[P], 14[O],
LYS	36	CE	17	2	4[P], 13[O],
LYS	36	CD	17	2	13[O], 4[P],
SER	37	OG	33	2	2[N], 19[O], 5[P], 7[C],
SER	38	OG	53	2	8[N], 21[O], 4[P], 20[C],
ILE	40	CG1	2	2	2[O],
ILE	40	CD1	2	2	2[O],
ASN	41	CG	2	2	2[O],
ASN	41	ND2	9	2	7[O], 2[P],
THR	42	CG2	1	2	1[O],
THR	42	OG1	13	2	3[N], 3[O], 7[C],
ASN	48	ND2	3	2	1[P], 2[O],
THR	52	CG2	18	2	9[O], 1[N], 6[C], 2[P],
THR	52	OG1	16	2	1[N], 8[O], 1[P], 6[C],
SER	53	OG	13	2	3[C], 2[P], 8[O],
LYS	55	CG	5	2	3[C], 2[O],
LYS	55	CD	6	2	2[O], 4[C],
PRO	56	CG	9	2	6[O], 1[P], 2[C],
PRO	56	CD	10	2	6[O], 3[C], 1[P],
LYS	58	CE	2	2	2[O],
LYS	58	CD	7	2	2[P], 1[C], 4[O],
LYS	58	CG	10	2	7[O], 3[P],
THR	59	OG1	13	2	10[O], 3[P],
THR	59	CG2	9	2	2[P], 7[O],
GLN	60	CD	1	2	1[O],
GLN	60	NE2	1	2	1[O],
GLN	60	OE1	1	2	1[O],
ASP	75	OD2	15	2	4[P], 11[O],
ASP	75	CG	12	2	9[O], 3[P],
ASP	75	OD1	14	2	4[P], 10[O],
PRO	77	CG	4	2	3[O], 1[P],
PRO	77	CD	3	2	1[P], 2[O],
TRP	92	CE2	1	2	1[O],
TRP	92	CZ2	1	2	1[O],
TRP	92	NE1	1	2	1[O],
LEU	112	CD1	4	2	1[N], 3[O],
LEU	112	CG	4	2	1[P], 1[N], 2[O],
LEU	112	CD2	17	2	3[C], 3[P], 2[N], 9[O],
ASP	114	OD2	7	2	2[C], 3[O], 2[N],
ASP	114	OD1	4	2	3[C], 1[O],
ARG	116	CZ	6	2	2[C], 1[O], 3[N],
ARG	116	CD	8	2	2[C], 6[N],
ARG	116	NE	8	2	3[C], 5[N],
THR	142	OG1	31	2	13[C], 10[N], 8[O],
THR	142	CG2	31	2	12[C], 8[N], 11[O],
LYS	143	CE	50	2	10[N], 17[O], 3[P], 20[C],
LYS	143	CD	42	2	20[C], 1[P], 11[O], 10[N],
LYS	143	CG	38	2	8[O], 10[N], 20[C],
LYS	143	NZ	53	2	19[O], 10[N], 20[C], 4[P],
ASP	145	OD1	24	2	12[C], 10[N], 2[O],
ASP	145	CG	21	2	10[N], 2[O], 9[C],
ASP	145	OD2	25	2	12[C], 10[N], 3[O],
LYS	146	NZ	15	2	7[N], 2[O], 6[C],
LYS	146	CD	26	2	12[C], 4[O], 10[N],
LYS	146	CG	22	2	2[O], 10[N], 10[C],
LYS	146	CE	21	2	10[C], 3[O], 8[N],
PHE	174	CD1	2	2	2[O],
PHE	174	CG	7	2	3[C], 2[O], 2[N],
PHE	174	CD2	12	2	6[C], 2[O], 4[N],
PHE	174	CE1	2	2	2[O],
PHE	174	CZ	5	2	2[O], 2[N], 1[C],
PHE	174	CE2	11	2	6[C], 3[N], 2[O],
SER	175	OG	22	2	2[O], 10[N], 10[C],
SER	176	OG	38	2	2[P], 16[C], 11[O], 9[N],
VAL	177	CG1	20	2	8[C], 3[O], 9[N],
VAL	177	CG2	32	2	15[C], 10[N], 7[O],
THR	178	CG2	9	2	2[O], 4[N], 3[C],
THR	178	OG1	6	2	2[C], 2[O], 2[N],
GLN	180	OE1	1	2	1[O],
Total = 79


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