Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_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 C1_S1
Complex: NACID_B_2(4S2Y) / Model_3(4S2Y/A) = [5.8]	Download	-	-	MIDSEGFRPNVGIILANDDGQVLWAKRIGHNAWQFPQGGIQFGETPEQALFRELREEIGLLPEHVQIIAQTKGWLRYRLPHRYIRSDSDPVCIGQKQKWFLLKLTAPAKNIQLNLADPPEFDEWQWVSYWYPLGQVVNFKRDVYRKAMVELCTQLPVQQLP
Consensus [pKd Mean = 5.80]	-	0 (s=0)	0 (s=0)	MIDSEGFRPNVGIILANDDGQVLWAKRIGHNAWQFPQGGIQFGETPEQALFRELREEIGLLPEHVQIIAQTKGWLRYRLPHRYIRSDSDPVCIGQKQKWFLLKLTAPAKNIQLNLADPPEFDEWQWVSYWYPLGQVVNFKRDVYRKAMVELCTQLPVQQLP

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ARG	8	CZ	15	1	3[P], 4[C], 8[O],
ARG	8	CD	4	1	2[O], 2[C],
ARG	8	NE	6	1	2[C], 3[O], 1[P],
ASN	10	ND2	11	1	3[C], 6[O], 2[P],
ASN	10	CG	3	1	1[C], 1[O], 1[P],
ASN	10	OD1	3	1	1[P], 1[O], 1[C],
ARG	27	CD	11	1	4[N], 5[C], 2[O],
ARG	27	CG	4	1	1[N], 1[O], 2[C],
ARG	27	CZ	18	1	1[P], 8[C], 5[O], 4[N],
ARG	27	NE	14	1	3[O], 7[C], 4[N],
HIS	30	CD2	1	1	1[O],
HIS	30	CE1	4	1	2[N], 1[O], 1[C],
HIS	30	ND1	3	1	2[N], 1[C],
HIS	30	NE2	1	1	1[O],
ALA	32	O	1	1	1[O],
ALA	32	N	3	1	1[C], 1[O], 1[N],
ALA	32	CA	3	1	1[N], 1[C], 1[O],
ALA	32	C	2	1	1[O], 1[C],
ALA	32	CB	8	1	4[C], 1[O], 3[N],
TRP	33	N	1	1	1[O],
TRP	33	O	1	1	1[O],
GLN	34	NE2	3	1	3[O],
GLN	34	CD	3	1	1[N], 2[O],
GLN	34	OE1	4	1	2[C], 1[O], 1[N],
GLN	37	OE1	4	1	3[O], 1[P],
GLN	37	CG	7	1	1[C], 5[O], 1[P],
GLN	37	N	4	1	1[P], 3[O],
GLN	37	CB	5	1	1[C], 3[O], 1[P],
GLN	37	O	9	1	6[O], 1[C], 2[P],
GLN	37	C	8	1	5[O], 1[C], 2[P],
GLN	37	NE2	15	1	5[C], 8[O], 2[P],
GLN	37	CA	5	1	3[O], 1[C], 1[P],
GLN	37	CD	8	1	1[C], 5[O], 2[P],
GLY	38	O	5	1	2[P], 2[O], 1[C],
GLY	38	CA	9	1	1[C], 6[O], 2[P],
GLY	38	N	7	1	4[O], 1[C], 2[P],
GLY	38	C	9	1	2[P], 6[O], 1[C],
GLY	39	C	2	1	1[C], 1[O],
GLY	39	N	11	1	3[P], 7[O], 1[C],
GLY	39	CA	6	1	3[O], 1[C], 2[P],
GLY	39	O	2	1	1[P], 1[O],
GLN	41	NE2	3	1	3[O],
GLU	53	CG	3	1	1[P], 2[O],
GLU	53	CD	5	1	1[P], 1[C], 3[O],
GLU	53	CB	1	1	1[O],
GLU	53	OE2	8	1	2[P], 1[C], 5[O],
GLU	53	OE1	6	1	1[C], 4[O], 1[P],
GLU	56	OE2	2	1	2[O],
GLU	57	OE1	2	1	2[O],
GLU	57	CG	1	1	1[O],
GLU	57	CD	3	1	2[O], 1[P],
GLU	57	OE2	7	1	2[P], 4[O], 1[C],
TYR	77	CE1	6	1	4[O], 1[C], 1[P],
TYR	77	CD2	1	1	1[O],
TYR	77	CD1	1	1	1[O],
TYR	77	CZ	5	1	4[O], 1[P],
TYR	77	CE2	1	1	1[O],
LEU	79	CD1	10	1	5[C], 4[O], 1[P],
LEU	79	CD2	12	1	1[P], 6[O], 5[C],
LEU	79	CG	8	1	1[P], 4[C], 3[O],
LEU	79	CB	2	1	1[O], 1[C],
PRO	80	CD	2	1	1[C], 1[O],
TYR	83	CD2	11	1	2[O], 7[C], 2[N],
TYR	83	C	2	1	1[C], 1[O],
TYR	83	CB	6	1	4[C], 2[O],
TYR	83	CG	8	1	2[O], 4[C], 2[N],
TYR	83	O	5	1	2[O], 3[C],
TYR	83	CE1	2	1	1[O], 1[N],
TYR	83	CA	3	1	2[O], 1[C],
TYR	83	CD1	3	1	1[O], 2[C],
TYR	83	CE2	11	1	2[O], 6[C], 3[N],
TYR	83	CZ	8	1	4[N], 1[O], 3[C],
ARG	85	CD	1	1	1[O],
ARG	85	CZ	4	1	2[O], 2[C],
ARG	85	NE	2	1	1[C], 1[O],
ARG	85	CG	1	1	1[O],
CYS	92	SG	3	1	2[C], 1[O],
GLY	94	CA	1	1	1[O],
GLY	94	C	1	1	1[O],
GLN	95	NE2	17	1	2[P], 6[C], 9[O],
GLN	95	CB	3	1	1[C], 2[O],
GLN	95	OE1	11	1	4[O], 6[C], 1[P],
GLN	95	CG	8	1	1[P], 4[O], 3[C],
GLN	95	CD	14	1	2[P], 6[O], 6[C],
GLU	120	OE1	11	1	3[P], 7[O], 1[C],
GLU	120	CD	11	1	1[C], 7[O], 3[P],
GLU	120	CG	4	1	1[P], 3[O],
GLU	120	CB	2	1	2[O],
GLU	120	OE2	12	1	2[C], 7[O], 3[P],
VAL	136	C	1	1	1[O],
VAL	137	CA	4	1	2[C], 1[O], 1[N],
VAL	137	C	1	1	1[O],
VAL	137	CG2	10	1	4[N], 1[O], 5[C],
VAL	137	CG1	8	1	3[N], 1[O], 4[C],
VAL	137	N	2	1	1[O], 1[C],
VAL	137	CB	9	1	3[N], 1[O], 5[C],
PHE	139	CE1	10	1	1[P], 3[C], 4[O], 2[N],
PHE	139	CD2	3	1	1[O], 1[C], 1[N],
PHE	139	CZ	15	1	2[N], 8[C], 4[O], 1[P],
PHE	139	CE2	15	1	3[N], 7[C], 4[O], 1[P],
PHE	139	CD1	3	1	1[C], 2[O],
LYS	140	CG	1	1	1[O],
LYS	140	CE	7	1	1[P], 1[N], 4[O], 1[C],
LYS	140	NZ	8	1	1[N], 1[C], 5[O], 1[P],
LYS	140	CD	4	1	2[O], 1[N], 1[P],
Total = 105


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