Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: RAP_B_2(1FKL) / Model_86(1FKL/A) = [7.2]	Download	1829.14	46.85	MSKALPIAVAVVLGGAALVPVYYATQHPTTEVGHKADKNASPIQKISYVLGYEVAQQTPPELDTKAFVQGIHDVRNKQPSAYTQEDLKAAVAAYEKELQQKMQHQDKPEQAGTATDSADAQFLAENKTKAGVKTTASGLQYIITKEGTGKQPTAQSIVKVHYEGRLINGQVFDSSYKRGQPVEFPLNQVIPGWTEGLQLMKEGGKATFFIPSNLAYGPQELPGIPANSTLIFDVELISVK
Complex: FK5_A_3(1Q6I) / Model_121(1Q6I/A) = [6.7]	Download	1871.74	47.67	MSKALPIAVAVVLGGAALVPVYYATQHPTTEVGHKADKNASPIQKISYVLGYEVAQQTPPELDTKAFVQGIHDVRNKQPSAYTQEDLKAAVAAYEKELQQKMQHQDKPEQAGTATDSADAQFLAENKTKAGVKTTASGLQYIITKEGTGKQPTAQSIVKVHYEGRLINGQVFDSSYKRGQPVEFPLNQVIPGWTEGLQLMKEGGKATFFIPSNLAYGPQELPGIPANSTLIFDVELISVK
Complex: ARD_C_3(3FAP) / Model_100(3FAP/A) = [6.7]	Download	1912.80	48.11	MSKALPIAVAVVLGGAALVPVYYATQHPTTEVGHKADKNASPIQKISYVLGYEVAQQTPPELDTKAFVQGIHDVRNKQPSAYTQEDLKAAVAAYEKELQQKMQHQDKPEQAGTATDSADAQFLAENKTKAGVKTTASGLQYIITKEGTGKQPTAQSIVKVHYEGRLINGQVFDSSYKRGQPVEFPLNQVIPGWTEGLQLMKEGGKATFFIPSNLAYGPQELPGIPANSTLIFDVELISVK
Complex: 1PE_A_2(3O5L) / Model_71(3O5L/A) = [3.2]	Download	1134.01	44.88	MSKALPIAVAVVLGGAALVPVYYATQHPTTEVGHKADKNASPIQKISYVLGYEVAQQTPPELDTKAFVQGIHDVRNKQPSAYTQEDLKAAVAAYEKELQQKMQHQDKPEQAGTATDSADAQFLAENKTKAGVKTTASGLQYIITKEGTGKQPTAQSIVKVHYEGRLINGQVFDSSYKRGQPVEFPLNQVIPGWTEGLQLMKEGGKATFFIPSNLAYGPQELPGIPANSTLIFDVELISVK
Consensus [pKd Mean = 5.95]	-	1686 (s=320)	46 (s=1)	MSKALPIAVAVVLGGAALVPVYYATQHPTTEVGHKADKNASPIQKISYVLGYEVAQQTPPELDTKAFVQGIHDVRNKQPSAYTQEDLKAAVAAYEKELQQKMQHQDKPEQAGTATDSADAQFLAENKTKAGVKTTASGLQYIITKEGTGKQPTAQSIVKVHYEGRLINGQVFDSSYKRGQPVEFPLNQVIPGWTEGLQLMKEGGKATFFIPSNLAYGPQELPGIPANSTLIFDVELISVK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
VAL	160	CG2	1	4	1[C],
TYR	162	CB	3	4	3[C],
TYR	162	CE2	33	4	3[N], 22[C], 8[O],
TYR	162	CZ	42	4	3[N], 29[C], 10[O],
TYR	162	CG	14	4	11[C], 3[O],
TYR	162	CD1	17	4	1[N], 14[C], 2[O],
TYR	162	CD2	18	4	13[C], 3[O], 2[N],
TYR	162	CE1	28	4	3[N], 19[C], 6[O],
GLY	164	N	3	4	3[O],
GLY	164	CA	3	4	3[O],
PHE	172	CE2	7	4	4[O], 3[C],
PHE	172	CB	7	4	2[O], 5[C],
PHE	172	CD1	29	4	9[O], 20[C],
PHE	172	CE1	33	4	21[C], 10[O], 2[N],
PHE	172	CD2	4	4	3[C], 1[O],
PHE	172	CZ	24	4	9[O], 15[C],
PHE	172	O	8	4	5[O], 3[C],
PHE	172	CG	13	4	7[C], 6[O],
PHE	172	C	8	4	2[C], 6[O],
ASP	173	C	6	4	1[C], 5[O],
ASP	173	CG	40	4	29[C], 11[O],
ASP	173	OD1	27	4	10[O], 17[C],
ASP	173	O	3	4	3[O],
ASP	173	CA	10	4	4[C], 6[O],
ASP	173	OD2	62	4	46[C], 12[O], 3[N], 1[S],
ASP	173	N	7	4	6[O], 1[C],
ASP	173	CB	32	4	9[O], 23[C],
ARG	178	NE	5	4	5[C],
ARG	178	CZ	10	4	1[S], 7[C], 2[O],
ARG	178	CD	3	4	3[C],
VAL	182	CG1	16	4	14[C], 2[O],
VAL	182	CG2	6	4	6[C],
VAL	182	CB	5	4	5[C],
GLU	183	O	3	4	3[C],
PHE	184	CG	3	4	1[O], 2[C],
PHE	184	CD1	3	4	3[C],
PHE	184	CB	7	4	4[C], 3[O],
PHE	184	CD2	3	4	3[C],
PHE	184	CE1	1	4	1[C],
PHE	184	CZ	3	4	3[C],
PHE	184	CE2	5	4	5[C],
PRO	185	CD	2	4	1[O], 1[C],
GLN	188	CD	15	4	10[C], 5[O],
GLN	188	N	14	4	6[O], 8[C],
GLN	188	CB	26	4	19[C], 7[O],
GLN	188	CA	41	4	12[O], 29[C],
GLN	188	CG	19	4	6[O], 13[C],
GLN	188	C	66	4	17[O], 49[C],
GLN	188	OE1	15	4	3[O], 12[C],
GLN	188	O	78	4	59[C], 19[O],
GLN	188	NE2	13	4	8[C], 5[O],
VAL	189	CB	42	4	9[O], 33[C],
VAL	189	CA	61	4	48[C], 13[O],
VAL	189	O	23	4	17[C], 6[O],
VAL	189	CG1	53	4	9[O], 42[C], 2[N],
VAL	189	N	41	4	10[O], 31[C],
VAL	189	C	44	4	34[C], 10[O],
VAL	189	CG2	16	4	4[O], 12[C],
ILE	190	C	8	4	5[C], 3[O],
ILE	190	CG1	32	4	20[C], 9[O], 3[N],
ILE	190	O	7	4	3[O], 4[C],
ILE	190	N	44	4	9[O], 35[C],
ILE	190	CB	30	4	9[O], 21[C],
ILE	190	CG2	48	4	37[C], 10[O], 1[N],
ILE	190	CA	31	4	5[O], 26[C],
ILE	190	CD1	25	4	6[O], 16[C], 3[N],
PRO	191	N	1	4	1[C],
PRO	191	CD	2	4	1[O], 1[C],
TRP	193	CZ3	15	4	15[C],
TRP	193	CE3	18	4	1[O], 17[C],
TRP	193	CD2	22	4	2[O], 18[C], 2[N],
TRP	193	CA	2	4	2[C],
TRP	193	CZ2	22	4	19[C], 3[N],
TRP	193	CD1	25	4	3[N], 18[C], 4[O],
TRP	193	NE1	28	4	22[C], 3[O], 3[N],
TRP	193	CE2	25	4	21[C], 1[O], 3[N],
TRP	193	CG	21	4	17[C], 3[O], 1[N],
TRP	193	CB	14	4	3[O], 11[C],
ALA	215	C	2	4	1[O], 1[C],
ALA	215	O	3	4	2[C], 1[O],
TYR	216	CE2	45	4	33[C], 9[O], 3[N],
TYR	216	CD1	18	4	15[C], 3[O],
TYR	216	CD2	11	4	3[O], 8[C],
TYR	216	CB	1	4	1[C],
TYR	216	CE1	50	4	10[O], 40[C],
TYR	216	CA	1	4	1[C],
TYR	216	N	1	4	1[C],
TYR	216	CZ	66	4	51[C], 12[O], 3[N],
TYR	216	C	1	4	1[C],
TYR	216	CG	5	4	2[C], 3[O],
GLU	220	CD	1	4	1[C],
GLU	220	CB	2	4	2[C],
GLU	220	C	1	4	1[C],
GLU	220	CG	2	4	2[C],
GLU	220	O	2	4	2[C],
GLU	220	CA	1	4	1[C],
GLU	220	OE1	1	4	1[C],
GLU	220	OE2	1	4	1[C],
LEU	221	CG	15	4	15[C],
LEU	221	CD1	20	4	4[O], 16[C],
LEU	221	CB	9	4	9[C],
LEU	221	CD2	27	4	6[O], 21[C],
PRO	222	O	2	4	2[C],
GLY	223	C	2	4	2[C],
GLY	223	N	1	4	1[C],
GLY	223	CA	2	4	2[C],
ILE	224	CD1	18	4	4[O], 14[C],
ILE	224	N	4	4	4[C],
ILE	224	CG2	1	4	1[C],
ILE	224	CG1	10	4	1[O], 9[C],
ILE	224	CB	5	4	5[C],
LEU	230	CD1	6	4	3[O], 3[C],
PHE	232	CD2	18	4	4[O], 12[C], 2[N],
PHE	232	CD1	12	4	9[C], 2[O], 1[N],
PHE	232	CE1	30	4	3[N], 7[O], 20[C],
PHE	232	CG	4	4	1[O], 3[C],
PHE	232	CZ	37	4	3[N], 28[C], 6[O],
PHE	232	CE2	29	4	3[N], 6[O], 20[C],
Total = 118


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