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: NACID_I_7(4HT8) / Model_88(4HT8/A) = [8.3]	Download	-	-	MSKGQTLQDPFLNSLRKERIPVSIFLVNGIKLQGHIESFDQYVVLLKNTVSQMVYKHAISTVVPARNPRPAGAQGAGFPAQGGSQGGFGGQGAGFGGAQGAGFGGQGGFGGQGGFGGQGGFGGQGGFGGQGGFGGQGGFGGHQGGFGGHQGGFDNDSKFEDGQDDENNR
Consensus [pKd Mean = 8.30]	-	0 (s=0)	0 (s=0)	MSKGQTLQDPFLNSLRKERIPVSIFLVNGIKLQGHIESFDQYVVLLKNTVSQMVYKHAISTVVPARNPRPAGAQGAGFPAQGGSQGGFGGQGAGFGGAQGAGFGGQGGFGGQGGFGGQGGFGGQGGFGGQGGFGGQGGFGGHQGGFGGHQGGFDNDSKFEDGQDDENNR

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
PHE	25	N	1	1	1[N],
PHE	25	CA	8	1	3[N], 1[O], 4[C],
PHE	25	CE2	14	1	1[O], 5[N], 8[C],
PHE	25	C	5	1	3[C], 2[N],
PHE	25	CD1	11	1	5[N], 5[C], 1[O],
PHE	25	CD2	15	1	5[N], 8[C], 2[O],
PHE	25	CE1	9	1	4[C], 4[N], 1[O],
PHE	25	CG	13	1	5[N], 7[C], 1[O],
PHE	25	CB	12	1	5[N], 1[O], 6[C],
PHE	25	O	4	1	2[C], 2[N],
PHE	25	CZ	10	1	1[O], 3[N], 6[C],
LEU	26	CD2	1	1	1[C],
LEU	26	CA	1	1	1[C],
LEU	26	CG	3	1	2[N], 1[C],
LEU	26	O	5	1	2[N], 3[C],
LEU	26	N	3	1	1[C], 2[N],
LEU	26	CD1	6	1	4[C], 2[N],
LEU	26	C	3	1	2[N], 1[C],
VAL	27	C	2	1	1[N], 1[C],
VAL	27	O	2	1	1[N], 1[C],
VAL	27	CA	2	1	1[C], 1[N],
VAL	27	N	1	1	1[C],
ASN	28	OD1	1	1	1[N],
ASN	28	ND2	2	1	1[C], 1[N],
ASN	28	O	4	1	1[P], 1[C], 2[O],
ASN	28	C	3	1	2[O], 1[N],
GLY	29	C	19	1	2[P], 9[C], 2[N], 6[O],
GLY	29	CA	16	1	2[N], 6[O], 7[C], 1[P],
GLY	29	N	9	1	1[P], 1[N], 3[O], 4[C],
GLY	29	O	23	1	2[P], 9[O], 2[N], 10[C],
ILE	30	N	15	1	2[P], 1[N], 5[C], 7[O],
ILE	30	CA	14	1	1[P], 6[C], 7[O],
ILE	30	CD1	23	1	1[P], 8[O], 2[N], 12[C],
ILE	30	CG2	32	1	5[N], 8[O], 18[C], 1[P],
ILE	30	CG1	27	1	2[N], 13[C], 10[O], 2[P],
ILE	30	C	10	1	4[C], 5[O], 1[P],
ILE	30	O	3	1	2[O], 1[C],
ILE	30	CB	19	1	1[P], 6[O], 2[N], 10[C],
LYS	31	CD	2	1	2[O],
LYS	31	CA	9	1	1[P], 5[O], 3[C],
LYS	31	CG	2	1	2[O],
LYS	31	CB	6	1	1[C], 4[O], 1[P],
LYS	31	O	15	1	1[P], 4[O], 2[N], 8[C],
LYS	31	CE	2	1	2[O],
LYS	31	C	12	1	1[P], 5[C], 2[N], 4[O],
LYS	31	N	12	1	6[O], 5[C], 1[P],
LEU	32	CB	11	1	5[C], 1[O], 5[N],
LEU	32	CD2	25	1	14[C], 10[N], 1[O],
LEU	32	CG	16	1	9[C], 6[N], 1[O],
LEU	32	CD1	10	1	4[N], 6[C],
LEU	32	N	9	1	5[C], 2[N], 2[O],
LEU	32	O	2	1	1[N], 1[C],
LEU	32	C	7	1	4[C], 3[N],
LEU	32	CA	10	1	3[N], 1[O], 6[C],
GLN	33	C	5	1	2[N], 3[C],
GLN	33	CA	5	1	3[C], 2[N],
GLN	33	NE2	2	1	1[N], 1[C],
GLN	33	CG	2	1	1[N], 1[C],
GLN	33	CB	4	1	2[C], 2[N],
GLN	33	O	7	1	4[C], 3[N],
GLN	33	N	8	1	4[N], 4[C],
GLN	33	CD	1	1	1[N],
GLY	34	N	2	1	2[N],
GLY	34	CA	1	1	1[N],
LEU	46	C	1	1	1[N],
LEU	46	CB	1	1	1[N],
LEU	46	CG	2	1	1[N], 1[C],
LEU	46	CD1	1	1	1[N],
LEU	46	CD2	5	1	3[N], 2[C],
LEU	46	O	1	1	1[N],
LYS	47	O	1	1	1[N],
LYS	47	C	1	1	1[N],
ASN	48	CB	4	1	2[N], 2[C],
ASN	48	CA	2	1	1[C], 1[N],
ASN	48	N	1	1	1[N],
ASN	48	OD1	1	1	1[N],
ASN	48	ND2	7	1	4[C], 3[N],
ASN	48	C	1	1	1[N],
ASN	48	CG	4	1	2[N], 2[C],
THR	49	N	1	1	1[N],
THR	49	OG1	2	1	1[N], 1[C],
VAL	50	O	2	1	2[N],
VAL	50	CG2	2	1	1[C], 1[N],
GLN	52	CB	2	1	2[N],
GLN	52	NE2	13	1	7[N], 6[C],
GLN	52	CD	10	1	5[C], 5[N],
GLN	52	OE1	12	1	7[C], 5[N],
GLN	52	CG	5	1	2[C], 3[N],
SER	60	C	4	1	2[N], 2[C],
SER	60	N	2	1	1[C], 1[N],
SER	60	OG	7	1	4[C], 3[N],
SER	60	O	2	1	2[N],
SER	60	CA	4	1	2[N], 2[C],
SER	60	CB	7	1	4[C], 3[N],
THR	61	O	2	1	2[N],
THR	61	OG1	6	1	3[N], 3[C],
THR	61	CB	5	1	2[N], 3[C],
THR	61	CA	3	1	1[C], 2[N],
THR	61	CG2	3	1	1[C], 2[N],
THR	61	C	1	1	1[N],
THR	61	N	4	1	2[C], 2[N],
Total = 101


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