Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C3_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 C3_S1
Complex: APR_A_2(1V8M) / Model_12(1V8M/A) = [4.0]	Download	1628.08	10.74	MEFEEKTLSRKEIYQGPIFKLVQDQVELPEGKGTARRDLIFHNGAVCVLAVTDEQKLILVKQYRKAIEAVSYEIPAGKLEVGENTAPVAAALRELEEETAYTGKLELLYDFYSAIGFCNEKLKLYLASDLTKVENPRPQDEDETLEVLEVSLEEAKELIQSGHICDAKTIMAVQYWELQKK
Consensus [pKd Mean = 4.00]	-	1628 (s=0)	10 (s=0)	MEFEEKTLSRKEIYQGPIFKLVQDQVELPEGKGTARRDLIFHNGAVCVLAVTDEQKLILVKQYRKAIEAVSYEIPAGKLEVGENTAPVAAALRELEEETAYTGKLELLYDFYSAIGFCNEKLKLYLASDLTKVENPRPQDEDETLEVLEVSLEEAKELIQSGHICDAKTIMAVQYWELQKK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
PRO	17	CG	7	1	3[N], 4[C],
PRO	17	CD	6	1	3[N], 3[C],
ILE	18	CD1	21	1	2[P], 9[C], 5[O], 5[N],
ILE	18	CG2	21	1	5[N], 10[C], 1[P], 5[O],
ILE	18	CG1	14	1	5[N], 6[C], 3[O],
PHE	19	CE1	3	1	1[C], 2[N],
PHE	19	CE2	8	1	4[C], 4[N],
PHE	19	CD1	2	1	2[N],
PHE	19	CG	4	1	2[C], 2[N],
PHE	19	CD2	8	1	4[N], 4[C],
PHE	19	CZ	5	1	2[N], 3[C],
HIS	42	CG	4	1	2[O], 2[C],
HIS	42	ND1	7	1	3[O], 4[C],
HIS	42	CE1	16	1	2[N], 1[P], 7[O], 6[C],
HIS	42	NE2	17	1	2[N], 8[C], 7[O],
HIS	42	CD2	7	1	2[N], 3[C], 2[O],
ASN	43	ND2	1	1	1[O],
VAL	46	CG2	7	1	4[O], 2[C], 1[P],
CYS	47	SG	10	1	5[C], 5[O],
VAL	60	CG2	2	1	2[O],
GLN	62	NE2	21	1	2[P], 9[O], 9[C], 1[N],
GLN	62	CG	9	1	6[O], 2[C], 1[P],
GLN	62	OE1	26	1	2[P], 10[C], 12[O], 2[N],
GLN	62	CD	20	1	2[N], 8[O], 2[P], 8[C],
ARG	64	CZ	22	1	2[P], 8[C], 10[O], 2[N],
ARG	64	NE	15	1	1[N], 7[O], 1[P], 6[C],
ARG	64	CG	8	1	1[P], 2[C], 5[O],
ARG	64	CD	14	1	5[O], 7[C], 1[P], 1[N],
LYS	65	CD	2	1	1[N], 1[C],
LYS	65	CG	1	1	1[N],
SER	71	OG	3	1	1[C], 2[O],
GLU	73	OE2	12	1	5[C], 1[P], 6[O],
GLU	73	CG	8	1	4[C], 4[O],
GLU	73	OE1	14	1	5[C], 1[P], 8[O],
GLU	73	CD	12	1	5[C], 1[P], 6[O],
LYS	78	CD	30	1	5[N], 12[C], 2[P], 11[O],
LYS	78	CE	32	1	5[N], 13[C], 2[P], 12[O],
LYS	78	NZ	34	1	5[N], 12[O], 2[P], 15[C],
LYS	78	CG	27	1	2[P], 11[C], 12[O], 2[N],
GLU	80	OE1	11	1	1[P], 6[O], 4[C],
GLU	80	CG	4	1	1[P], 3[O],
GLU	80	OE2	6	1	1[P], 4[O], 1[C],
GLU	80	CD	8	1	1[P], 5[O], 2[C],
GLU	83	OE2	1	1	1[O],
ARG	93	CZ	6	1	1[P], 4[O], 1[C],
ARG	93	CG	1	1	1[O],
ARG	93	CD	1	1	1[O],
ARG	93	NE	2	1	1[O], 1[P],
GLU	94	CD	13	1	4[C], 2[P], 7[O],
GLU	94	CG	11	1	2[P], 3[C], 6[O],
GLU	94	OE2	14	1	2[P], 5[C], 7[O],
GLU	94	OE1	15	1	2[P], 8[O], 5[C],
GLU	97	OE1	7	1	1[P], 4[O], 2[C],
GLU	97	OE2	1	1	1[O],
GLU	97	CD	1	1	1[O],
GLU	98	CD	12	1	7[O], 2[P], 3[C],
GLU	98	OE1	9	1	5[O], 2[C], 2[P],
GLU	98	CG	7	1	4[O], 2[P], 1[C],
GLU	98	OE2	16	1	5[C], 2[P], 9[O],
PHE	111	CE1	1	1	1[O],
PHE	111	CZ	2	1	2[O],
SER	113	OG	7	1	3[O], 4[C],
GLU	120	CG	6	1	2[O], 4[C],
GLU	120	CD	9	1	4[O], 5[C],
GLU	120	OE1	9	1	5[C], 4[O],
GLU	120	OE2	12	1	5[C], 7[O],
LEU	122	CD2	9	1	5[C], 4[O],
LEU	122	CG	8	1	3[O], 5[C],
LEU	122	CD1	8	1	5[C], 3[O],
ASP	142	OD1	2	1	1[C], 1[O],
ASP	142	OD2	5	1	3[C], 2[O],
ASP	142	CG	1	1	1[O],
THR	144	OG1	7	1	4[C], 3[O],
THR	144	CG2	5	1	3[C], 2[O],
LEU	145	CG	3	1	2[O], 1[P],
LEU	145	CD2	7	1	2[C], 1[P], 4[O],
LEU	145	CD1	5	1	1[P], 1[C], 3[O],
ASP	166	CG	10	1	5[C], 5[O],
ASP	166	OD1	8	1	4[O], 4[C],
ASP	166	OD2	11	1	5[C], 5[O], 1[P],
LYS	168	CE	12	1	5[C], 1[P], 6[O],
LYS	168	CG	10	1	5[O], 5[C],
LYS	168	NZ	14	1	5[C], 8[O], 1[P],
LYS	168	CD	10	1	5[O], 5[C],
Total = 84


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