Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C4_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 C4_S1
Complex: FAD_B_2(1A8P) / Model_1(1A8P/A) = [11.6]	Download	516.66	12.26	MAAFNVERITYVHHWNDTLFSFKTTRDASLRFKNGQFVMIGLEVNGKPLMRAYSIASANYEEELEFFSIKVQDGPLTSILQKVQVGDEILVSKKPTGTLVHDDLLPGKNLYLLSSGTGLAPFLSIIRDPETYERFEKVIVVHGTRYISELAYQDLILNELPNNEFFEELGIKDKLVYYPTVTREPFHTQGRVTTAIETGALFEKIGLPRFNRETDRAMLCGSPAFLKDVAALLDQHGLVESPRMGEMGDYVIERAFVEK
Consensus [pKd Mean = 11.60]	-	516 (s=0)	12 (s=0)	MAAFNVERITYVHHWNDTLFSFKTTRDASLRFKNGQFVMIGLEVNGKPLMRAYSIASANYEEELEFFSIKVQDGPLTSILQKVQVGDEILVSKKPTGTLVHDDLLPGKNLYLLSSGTGLAPFLSIIRDPETYERFEKVIVVHGTRYISELAYQDLILNELPNNEFFEELGIKDKLVYYPTVTREPFHTQGRVTTAIETGALFEKIGLPRFNRETDRAMLCGSPAFLKDVAALLDQHGLVESPRMGEMGDYVIERAFVEK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LEU	19	CD2	6	1	3[C], 2[N], 1[O],
LEU	19	CG	1	1	1[N],
PHE	20	CD1	1	1	1[O],
PHE	20	CE1	1	1	1[O],
PHE	37	CE2	10	1	8[C], 2[N],
PHE	37	CD1	10	1	9[C], 1[N],
PHE	37	CE1	9	1	8[C], 1[N],
PHE	37	CZ	9	1	8[C], 1[N],
PHE	37	CG	14	1	11[C], 2[N], 1[O],
PHE	37	CD2	12	1	2[N], 10[C],
MET	39	CE	6	1	6[C],
MET	39	SD	7	1	6[C], 1[O],
ILE	40	CD1	7	1	4[O], 1[N], 2[C],
ILE	40	CG1	2	1	2[O],
LEU	49	CG	4	1	1[P], 3[O],
LEU	49	CD1	4	1	3[O], 1[P],
LEU	49	CD2	9	1	2[P], 1[C], 6[O],
ARG	51	CG	22	1	10[O], 2[N], 8[C], 2[P],
ARG	51	CZ	17	1	10[O], 5[C], 2[P],
ARG	51	NE	24	1	2[P], 9[C], 2[N], 11[O],
ARG	51	CD	25	1	10[O], 3[N], 10[C], 2[P],
TYR	53	CG	25	1	5[O], 5[N], 15[C],
TYR	53	CZ	28	1	7[O], 14[C], 1[P], 6[N],
TYR	53	CE1	29	1	6[N], 13[C], 1[P], 9[O],
TYR	53	CD1	26	1	15[C], 5[N], 6[O],
TYR	53	CD2	22	1	5[N], 12[C], 5[O],
TYR	53	CE2	26	1	6[O], 14[C], 6[N],
SER	54	OG	18	1	13[C], 4[N], 1[O],
PHE	66	CG	3	1	1[O], 1[C], 1[N],
PHE	66	CD1	6	1	1[O], 3[C], 2[N],
PHE	66	CE1	3	1	1[O], 1[N], 1[C],
PHE	67	CZ	2	1	1[O], 1[N],
PHE	67	CE1	2	1	1[O], 1[N],
PHE	67	CE2	5	1	1[N], 2[C], 2[O],
PHE	67	CG	5	1	2[O], 1[N], 2[C],
PHE	67	CD1	5	1	2[C], 1[N], 2[O],
PHE	67	CD2	6	1	2[O], 1[N], 3[C],
SER	68	OG	19	1	4[N], 9[C], 6[O],
ILE	69	CD1	16	1	7[C], 7[N], 2[O],
ILE	69	CG1	24	1	13[C], 7[N], 4[O],
ILE	69	CG2	40	1	11[O], 8[N], 19[C], 2[P],
VAL	71	CG2	36	1	13[O], 6[N], 2[P], 15[C],
VAL	71	CG1	29	1	11[O], 4[N], 2[P], 12[C],
ASP	73	CG	2	1	1[O], 1[C],
ASP	73	OD2	2	1	1[O], 1[C],
PRO	75	CD	11	1	7[O], 2[C], 2[P],
PRO	75	CG	9	1	6[O], 2[P], 1[C],
LEU	76	CG	11	1	6[O], 4[C], 1[P],
LEU	76	CD2	14	1	1[N], 1[P], 4[C], 8[O],
LEU	76	CD1	7	1	1[P], 2[C], 4[O],
THR	77	CG2	28	1	11[O], 5[N], 2[P], 10[C],
THR	77	OG1	26	1	11[O], 2[N], 2[P], 11[C],
SER	78	OG	5	1	1[P], 4[O],
LEU	80	CG	2	1	2[O],
LEU	80	CD2	9	1	5[O], 1[P], 3[C],
THR	96	CG2	1	1	1[C],
THR	98	OG1	1	1	1[C],
LEU	99	CD2	2	1	2[C],
THR	117	OG1	29	1	4[O], 16[C], 9[N],
THR	117	CG2	20	1	10[C], 8[N], 2[O],
PRO	121	CD	8	1	1[O], 5[C], 2[N],
PRO	121	CG	6	1	1[O], 1[N], 4[C],
CYS	220	SG	13	1	2[N], 10[C], 1[O],
SER	222	OG	1	1	1[C],
PRO	223	CD	2	1	1[C], 1[O],
GLU	253	CD	9	1	1[N], 8[C],
GLU	253	OE1	13	1	2[N], 10[C], 1[O],
GLU	253	CG	9	1	8[C], 1[N],
GLU	253	OE2	8	1	1[N], 7[C],
ARG	254	NE	6	1	6[C],
ARG	254	CG	6	1	6[C],
ARG	254	CD	5	1	5[C],
ARG	254	CZ	5	1	5[C],
PHE	256	CE2	20	1	3[O], 10[C], 7[N],
PHE	256	CG	41	1	9[N], 25[C], 7[O],
PHE	256	CD2	34	1	5[O], 20[C], 9[N],
PHE	256	CE1	22	1	5[N], 12[C], 5[O],
PHE	256	CD1	30	1	17[C], 7[N], 6[O],
PHE	256	CZ	19	1	4[O], 10[C], 5[N],
VAL	257	CG2	20	1	4[O], 2[N], 14[C],
VAL	257	CG1	9	1	6[C], 3[O],
GLU	258	CD	1	1	1[O],
GLU	258	CG	3	1	2[O], 1[C],
GLU	258	OE1	2	1	2[O],
LYS	259	CD	27	1	2[N], 2[P], 11[C], 12[O],
LYS	259	NZ	31	1	13[O], 3[N], 2[P], 13[C],
LYS	259	CG	18	1	8[O], 1[P], 8[C], 1[N],
LYS	259	CE	30	1	13[C], 2[P], 2[N], 13[O],
Total = 88


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