Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: LP3_A_13(2AG2) / Model_5(2AG2/A) = [7.8]	Download	1783.24	44.15	MQSLMQAPLLIALGLLLAAPAQAHLKKPSQLSSFSWDNCDEGKDPAVIRSLTLEPDPIIVPGNVTLSVMGSTSVPLSSPLKVDLVLEKEVAGLWIKIPCTDYIGSCTFEHFCDVLDMLIPTGEPCPEPLRTYGLPCHCPFKEGTYSLPKSEFVVPDLELPSWLTTGNYRIESVLSSSGKRLGCIKIAASLKGI
Complex: LP3_A_12(2AG2) / Model_5(2AG2/A) = [6.8]	Download	2559.08	52.68	MQSLMQAPLLIALGLLLAAPAQAHLKKPSQLSSFSWDNCDEGKDPAVIRSLTLEPDPIIVPGNVTLSVMGSTSVPLSSPLKVDLVLEKEVAGLWIKIPCTDYIGSCTFEHFCDVLDMLIPTGEPCPEPLRTYGLPCHCPFKEGTYSLPKSEFVVPDLELPSWLTTGNYRIESVLSSSGKRLGCIKIAASLKGI
Complex: OLA_B_2(2AF9) / Model_4(2AF9/A) = [5.8]	Download	1552.04	49.14	MQSLMQAPLLIALGLLLAAPAQAHLKKPSQLSSFSWDNCDEGKDPAVIRSLTLEPDPIIVPGNVTLSVMGSTSVPLSSPLKVDLVLEKEVAGLWIKIPCTDYIGSCTFEHFCDVLDMLIPTGEPCPEPLRTYGLPCHCPFKEGTYSLPKSEFVVPDLELPSWLTTGNYRIESVLSSSGKRLGCIKIAASLKGI
Complex: DAO_E_5(2AF9) / Model_4(2AF9/A) = [3.8]	Download	1345.17	42.88	MQSLMQAPLLIALGLLLAAPAQAHLKKPSQLSSFSWDNCDEGKDPAVIRSLTLEPDPIIVPGNVTLSVMGSTSVPLSSPLKVDLVLEKEVAGLWIKIPCTDYIGSCTFEHFCDVLDMLIPTGEPCPEPLRTYGLPCHCPFKEGTYSLPKSEFVVPDLELPSWLTTGNYRIESVLSSSGKRLGCIKIAASLKGI
Complex: IPA_A_21(2AG2) / Model_5(2AG2/A) = [3.5]	Download	899.81	27.29	MQSLMQAPLLIALGLLLAAPAQAHLKKPSQLSSFSWDNCDEGKDPAVIRSLTLEPDPIIVPGNVTLSVMGSTSVPLSSPLKVDLVLEKEVAGLWIKIPCTDYIGSCTFEHFCDVLDMLIPTGEPCPEPLRTYGLPCHCPFKEGTYSLPKSEFVVPDLELPSWLTTGNYRIESVLSSSGKRLGCIKIAASLKGI
Consensus [pKd Mean = 5.54]	-	1627 (s=549)	43 (s=8)	MQSLMQAPLLIALGLLLAAPAQAHLKKPSQLSSFSWDNCDEGKDPAVIRSLTLEPDPIIVPGNVTLSVMGSTSVPLSSPLKVDLVLEKEVAGLWIKIPCTDYIGSCTFEHFCDVLDMLIPTGEPCPEPLRTYGLPCHCPFKEGTYSLPKSEFVVPDLELPSWLTTGNYRIESVLSSSGKRLGCIKIAASLKGI

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
PHE	34	CG	4	6	2[O], 2[C],
PHE	34	CZ	10	6	2[O], 8[C],
PHE	34	CE2	3	6	2[O], 1[C],
PHE	34	CD2	2	6	1[C], 1[O],
PHE	34	CD1	10	6	7[C], 3[O],
PHE	34	CE1	13	6	3[O], 10[C],
TRP	36	CD1	1	6	1[O],
TRP	36	CG	2	6	1[C], 1[O],
TRP	36	CE3	1	6	1[C],
ASN	38	OD1	16	6	9[C], 6[O], 1[P],
ASN	38	CG	8	6	3[O], 5[C],
ASN	38	ND2	2	6	1[C], 1[O],
CYS	39	SG	3	6	1[C], 2[O],
ASP	40	OD2	1	6	1[O],
ASP	44	CG	2	6	2[O],
ASP	44	OD2	4	6	2[C], 2[O],
VAL	47	CG2	11	6	3[O], 8[C],
VAL	47	CG1	10	6	7[C], 3[O],
ILE	48	CG1	34	6	23[C], 1[P], 10[O],
ILE	48	CG2	22	6	4[O], 18[C],
ILE	48	CD1	44	6	1[P], 10[O], 33[C],
ARG	49	CG	1	6	1[O],
LEU	51	CD2	15	6	3[O], 12[C],
LEU	51	CD1	16	6	1[O], 15[C],
LEU	51	CG	12	6	11[C], 1[O],
LEU	53	CD2	27	6	1[P], 4[O], 22[C],
LEU	53	CG	21	6	4[O], 17[C],
LEU	53	CD1	20	6	18[C], 2[O],
ILE	58	CD1	31	6	1[P], 7[O], 23[C],
ILE	58	CG1	24	6	4[O], 1[P], 19[C],
ILE	58	CG2	17	6	14[C], 2[O], 1[P],
VAL	60	CG2	13	6	7[C], 1[P], 5[O],
VAL	60	CG1	9	6	3[O], 6[C],
PRO	61	CG	2	6	1[C], 1[O],
PRO	61	CD	1	6	1[O],
VAL	64	CG1	11	6	11[C],
VAL	64	CG2	14	6	14[C],
LEU	66	CD2	23	6	1[O], 22[C],
LEU	66	CG	19	6	18[C], 1[O],
LEU	66	CD1	23	6	22[C], 1[O],
VAL	68	CG1	19	6	19[C],
VAL	68	CG2	26	6	23[C], 3[O],
MET	69	CG	4	6	3[C], 1[O],
SER	71	OG	7	6	4[C], 3[O],
THR	72	OG1	16	6	13[C], 3[O],
THR	72	CG2	18	6	15[C], 3[O],
LEU	76	CG	18	6	3[O], 15[C],
LEU	76	CD1	31	6	25[C], 1[P], 5[O],
LEU	76	CD2	17	6	14[C], 3[O],
LEU	80	CD2	5	6	4[C], 1[O],
LEU	80	CG	3	6	1[O], 2[C],
LEU	80	CD1	2	6	1[O], 1[C],
VAL	82	CG1	20	6	1[P], 7[O], 1[N], 11[C],
VAL	82	CG2	16	6	1[P], 7[O], 1[N], 7[C],
LEU	84	CG	15	6	1[N], 8[C], 1[P], 5[O],
LEU	84	CD2	18	6	1[N], 9[C], 1[P], 7[O],
LEU	84	CD1	11	6	2[O], 1[N], 8[C],
LEU	86	CG	28	6	20[C], 1[N], 6[O], 1[P],
LEU	86	CD2	29	6	1[P], 7[O], 1[N], 20[C],
LEU	86	CD1	28	6	1[N], 20[C], 1[P], 6[O],
LYS	88	CD	14	6	3[O], 10[C], 1[N],
LYS	88	CG	14	6	10[C], 1[N], 3[O],
LYS	88	NZ	10	6	3[O], 1[N], 6[C],
LYS	88	CE	13	6	9[C], 1[N], 3[O],
VAL	90	CG2	1	6	1[O],
TRP	94	CZ3	2	6	1[C], 1[O],
ILE	95	CD1	1	6	1[O],
ILE	97	CG1	17	6	12[C], 1[N], 4[O],
ILE	97	CG2	16	6	1[N], 11[C], 4[O],
ILE	97	CD1	24	6	6[O], 1[P], 16[C], 1[N],
PRO	98	CD	1	6	1[C],
ILE	103	CG1	13	6	2[O], 10[C], 1[N],
ILE	103	CG2	10	6	5[C], 1[N], 3[O], 1[P],
ILE	103	CD1	16	6	1[N], 12[C], 3[O],
PHE	108	CE1	1	6	1[C],
PHE	108	CG	3	6	1[N], 2[C],
PHE	108	CE2	5	6	4[C], 1[N],
PHE	108	CZ	4	6	3[C], 1[N],
PHE	108	CD1	1	6	1[C],
PHE	108	CD2	6	6	5[C], 1[N],
PHE	111	CD2	17	6	1[N], 15[C], 1[O],
PHE	111	CE2	20	6	18[C], 1[N], 1[O],
PHE	111	CG	13	6	1[O], 1[N], 11[C],
PHE	111	CE1	16	6	1[O], 14[C], 1[N],
PHE	111	CD1	12	6	11[C], 1[N],
PHE	111	CZ	20	6	18[C], 1[N], 1[O],
VAL	114	CG1	1	6	1[C],
LEU	115	CD1	16	6	16[C],
LEU	115	CD2	17	6	1[N], 16[C],
LEU	115	CG	13	6	13[C],
LEU	118	CD1	1	6	1[C],
LEU	118	CD2	2	6	2[C],
ILE	119	CD1	13	6	13[C],
ILE	119	CG2	6	6	6[C],
ILE	119	CG1	10	6	10[C],
CYS	125	SG	9	6	9[C],
PRO	126	CD	12	6	12[C],
PRO	126	CG	10	6	10[C],
PRO	128	CG	7	6	7[C],
PRO	128	CD	8	6	8[C],
LEU	129	CG	24	6	24[C],
LEU	129	CD1	26	6	26[C],
LEU	129	CD2	27	6	27[C],
LEU	134	CG	17	6	17[C],
LEU	134	CD2	18	6	18[C],
LEU	134	CD1	18	6	18[C],
PRO	135	CD	20	6	20[C],
PRO	135	CG	22	6	22[C],
CYS	136	SG	14	6	14[C],
HIS	137	CD2	1	6	1[C],
HIS	137	CE1	1	6	1[C],
HIS	137	ND1	2	6	2[C],
HIS	137	NE2	1	6	1[C],
HIS	137	CG	3	6	3[C],
CYS	138	SG	2	6	2[C],
PHE	140	CD1	23	6	22[C], 1[O],
PHE	140	CE1	24	6	24[C],
PHE	140	CD2	23	6	1[O], 22[C],
PHE	140	CE2	24	6	24[C],
PHE	140	CZ	23	6	23[C],
PHE	140	CG	22	6	21[C], 1[O],
THR	144	CG2	1	6	1[O],
THR	144	OG1	1	6	1[O],
TYR	145	CG	27	6	25[C], 2[O],
TYR	145	CZ	19	6	1[O], 18[C],
TYR	145	CE1	24	6	2[O], 22[C],
TYR	145	CD2	25	6	1[O], 24[C],
TYR	145	CD1	26	6	2[O], 24[C],
TYR	145	CE2	19	6	18[C], 1[O],
SER	146	OG	2	6	2[C],
LEU	147	CD1	4	6	4[C],
LEU	147	CG	5	6	5[C],
LEU	147	CD2	14	6	14[C],
PHE	152	CE2	12	6	12[C],
PHE	152	CD1	9	6	9[C],
PHE	152	CG	10	6	10[C],
PHE	152	CZ	13	6	13[C],
PHE	152	CD2	12	6	12[C],
PHE	152	CE1	10	6	10[C],
VAL	154	CG1	16	6	10[C], 1[P], 5[O],
VAL	154	CG2	16	6	3[O], 13[C],
PRO	155	CG	2	6	2[O],
PRO	155	CD	7	6	5[C], 2[O],
LEU	157	CD2	16	6	6[O], 1[P], 8[C], 1[N],
LEU	157	CG	15	6	5[O], 1[P], 8[C], 1[N],
LEU	157	CD1	20	6	12[C], 1[N], 6[O], 1[P],
LEU	159	CD1	19	6	4[O], 14[C], 1[N],
LEU	159	CG	15	6	3[O], 1[N], 11[C],
LEU	159	CD2	13	6	3[O], 9[C], 1[N],
LEU	163	CG	6	6	4[C], 2[O],
LEU	163	CD1	5	6	3[C], 2[O],
LEU	163	CD2	5	6	2[O], 3[C],
THR	164	CG2	21	6	1[P], 7[O], 1[N], 12[C],
THR	164	OG1	21	6	4[O], 1[N], 16[C],
TYR	168	CE2	35	6	1[N], 25[C], 1[P], 8[O],
TYR	168	CE1	31	6	1[P], 8[O], 1[N], 21[C],
TYR	168	CG	31	6	22[C], 1[N], 7[O], 1[P],
TYR	168	CD1	31	6	1[P], 9[O], 1[N], 20[C],
TYR	168	CZ	33	6	23[C], 1[N], 8[O], 1[P],
TYR	168	CD2	33	6	1[N], 23[C], 1[P], 8[O],
ARG	169	CD	1	6	1[C],
ARG	169	CG	4	6	1[O], 3[C],
ILE	170	CD1	26	6	7[O], 1[P], 18[C],
ILE	170	CG1	19	6	14[C], 5[O],
ILE	170	CG2	25	6	1[P], 6[O], 18[C],
GLU	171	CG	2	6	2[O],
SER	172	OG	28	6	19[C], 1[N], 7[O], 1[P],
VAL	173	CG1	6	6	1[C], 4[O], 1[P],
VAL	173	CG2	6	6	1[C], 4[O], 1[P],
LEU	174	CD2	30	6	19[C], 1[N], 9[O], 1[P],
LEU	174	CD1	24	6	14[C], 1[N], 8[O], 1[P],
LEU	174	CG	26	6	16[C], 1[N], 8[O], 1[P],
ARG	180	CD	1	6	1[O],
ARG	180	NE	1	6	1[O],
CYS	183	SG	6	6	2[C], 3[O], 1[P],
ILE	184	CG1	32	6	8[O], 1[P], 22[C], 1[N],
ILE	184	CG2	28	6	9[O], 1[P], 18[C],
ILE	184	CD1	38	6	26[C], 1[N], 10[O], 1[P],
ILE	186	CD1	24	6	6[O], 18[C],
ILE	186	CG1	23	6	18[C], 5[O],
ILE	186	CG2	22	6	18[C], 4[O],
LEU	190	CG	38	6	9[O], 1[P], 27[C], 1[N],
LEU	190	CD1	38	6	8[O], 1[P], 28[C], 1[N],
LEU	190	CD2	35	6	25[C], 1[N], 8[O], 1[P],
Total = 184


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