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: ANP_A_3(3GON) / Model_1(3GON/A) = [6.1]	Download	1346.82	21.66	MIAVKTCGKLYWAGEYAILEPGQLALIKDIPIYMRAEIAFSDSYRIYSDMFDFAVDLRPNPDYSLIQETIALMGDFLAVRGQNLRPFSLAIYGKMEREGKKFGLGSSGSVVVLVVKALLALYNLSVDQNLLFKLTSAVLLKRGDNGSMGDLACIAAEDLVLYQSFDRQKVAAWLEEENLATVLERDWGFSISQVKPTLECDFLVGWTKEVAVSSHMVQQIKQNINQNFLTSSKETVVSLVEALEQGKSEKIIEQVEVASKLLEGLSTDIYTPLLRQLKEASQDLQAVAKSSGAGGGDCGIALSFDAQSTKTLKNRWADLGIELLYQERIGHDDKS
Consensus [pKd Mean = 6.10]	-	1346 (s=0)	21 (s=0)	MIAVKTCGKLYWAGEYAILEPGQLALIKDIPIYMRAEIAFSDSYRIYSDMFDFAVDLRPNPDYSLIQETIALMGDFLAVRGQNLRPFSLAIYGKMEREGKKFGLGSSGSVVVLVVKALLALYNLSVDQNLLFKLTSAVLLKRGDNGSMGDLACIAAEDLVLYQSFDRQKVAAWLEEENLATVLERDWGFSISQVKPTLECDFLVGWTKEVAVSSHMVQQIKQNINQNFLTSSKETVVSLVEALEQGKSEKIIEQVEVASKLLEGLSTDIYTPLLRQLKEASQDLQAVAKSSGAGGGDCGIALSFDAQSTKTLKNRWADLGIELLYQERIGHDDKS

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LYS	9	NZ	9	1	2[P], 6[O], 1[N],
LYS	9	CE	8	1	5[O], 1[N], 2[P],
LYS	9	CG	5	1	1[P], 4[O],
LYS	9	CD	6	1	1[P], 1[N], 4[O],
LEU	10	CD2	4	1	1[P], 3[O],
TYR	11	CD2	2	1	2[O],
TYR	11	CE2	2	1	2[O],
TYR	11	CZ	1	1	1[O],
MET	34	SD	11	1	5[N], 1[O], 5[C],
MET	34	CG	7	1	3[N], 4[C],
MET	34	CE	10	1	5[N], 5[C],
SER	48	OG	11	1	5[N], 6[C],
ASP	49	OD2	1	1	1[N],
ASP	49	CG	3	1	2[N], 1[C],
ASP	49	OD1	6	1	3[N], 3[C],
MET	50	CE	22	1	1[P], 5[N], 6[O], 10[C],
MET	50	SD	22	1	10[C], 6[O], 5[N], 1[P],
MET	50	CG	20	1	1[P], 5[N], 5[O], 9[C],
PHE	51	CZ	17	1	5[N], 9[C], 3[O],
PHE	51	CD2	12	1	1[O], 6[C], 5[N],
PHE	51	CD1	12	1	6[C], 2[O], 4[N],
PHE	51	CE1	16	1	9[C], 2[O], 5[N],
PHE	51	CG	8	1	5[C], 3[N],
PHE	51	CE2	16	1	3[O], 8[C], 5[N],
ASP	62	OD1	3	1	1[C], 2[O],
ASP	62	CG	3	1	1[N], 1[O], 1[C],
TYR	63	CG	3	1	1[C], 2[N],
TYR	63	CD1	3	1	1[C], 2[N],
TYR	63	CZ	3	1	1[C], 2[N],
TYR	63	CE2	4	1	2[C], 2[N],
TYR	63	CD2	5	1	3[C], 2[N],
TYR	63	CE1	3	1	1[C], 2[N],
SER	64	OG	3	1	2[C], 1[O],
LEU	65	CD2	23	1	5[N], 10[C], 7[O], 1[P],
LEU	65	CD1	10	1	2[N], 6[C], 2[O],
LEU	65	CG	17	1	4[N], 10[C], 3[O],
ILE	66	CD1	13	1	7[C], 1[O], 5[N],
ILE	66	CG2	3	1	1[C], 2[N],
ILE	66	CG1	14	1	5[N], 7[C], 2[O],
ILE	91	CG1	5	1	2[C], 3[N],
ILE	91	CG2	8	1	4[C], 4[N],
ILE	91	CD1	7	1	3[N], 4[C],
LYS	94	CD	4	1	2[N], 2[C],
LYS	94	CE	1	1	1[N],
LYS	94	CG	5	1	2[C], 3[N],
MET	95	SD	7	1	2[C], 3[O], 2[N],
MET	95	CG	7	1	2[N], 3[C], 2[O],
GLU	96	OE1	10	1	1[P], 4[C], 2[O], 3[N],
GLU	96	CG	2	1	2[N],
GLU	96	CD	3	1	2[N], 1[C],
LYS	101	CE	14	1	1[N], 9[O], 1[C], 3[P],
LYS	101	CD	18	1	3[P], 1[N], 4[C], 10[O],
LYS	101	CG	16	1	2[C], 10[O], 1[N], 3[P],
LYS	101	NZ	14	1	9[O], 1[C], 1[N], 3[P],
LEU	104	CD1	1	1	1[O],
LEU	104	CD2	3	1	3[O],
LEU	104	CG	4	1	1[P], 3[O],
SER	106	OG	28	1	9[O], 10[C], 6[N], 3[P],
SER	107	OG	26	1	3[N], 8[C], 12[O], 3[P],
VAL	110	CG2	13	1	5[N], 1[O], 7[C],
VAL	110	CG1	20	1	1[P], 5[N], 10[C], 4[O],
VAL	111	CG2	3	1	1[C], 1[O], 1[N],
LEU	113	CD2	3	1	1[C], 2[N],
VAL	114	CG2	2	1	1[N], 1[C],
LEU	139	CD2	1	1	1[O],
ARG	142	NE	1	1	1[O],
ARG	142	CZ	5	1	2[O], 3[C],
ASP	144	CG	1	1	1[O],
ASP	144	OD1	2	1	1[O], 1[C],
ASP	144	OD2	1	1	1[O],
ASP	150	OD2	8	1	2[P], 1[N], 5[O],
ASP	150	OD1	2	1	2[O],
ASP	150	CG	7	1	1[N], 4[O], 2[P],
ILE	154	CD1	2	1	2[O],
VAL	210	CG1	6	1	1[P], 1[N], 4[O],
VAL	212	CG1	10	1	2[C], 5[O], 1[N], 2[P],
VAL	212	CG2	7	1	1[N], 1[C], 3[O], 2[P],
SER	213	OG	14	1	1[C], 9[O], 1[N], 3[P],
SER	214	OG	4	1	1[N], 1[O], 1[C], 1[P],
ASP	297	OD2	12	1	3[P], 1[N], 8[O],
ASP	297	CG	8	1	1[N], 5[O], 2[P],
ASP	297	OD1	7	1	2[P], 4[O], 1[N],
Total = 82


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