Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C3_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 C3_S1
Complex: 2GN_A_2(3ZM6) / Model_34(3ZM6/A) = [11.5]	Download	1295.37	9.88	MKLTIHEIAQVVGAKNDISIFEDTQLEKAEFDSRLIGTGDLFVPLKGARDGHDFIETAFENGAAVTLSEKEVSNHPYILVDDVLTAFQSLASYYLEKTTVDVFAVTGSNGKTTTKDMLAHLLSTRYKTYKTQGNYNNEIGLPYTVLHMPEGTEKLVLEMGQDHLGDIHLLSELARPKTAIVTLVGEAHLAFFKDRSEIAKGKMQIADGMASGSLLLAPADPIVEDYLPIDKKVVRFGQGAELEITDLVERKDSLTFKANFLEQALDLPVTGKYNATNAMIASYVALQEGVSEEQIRLAFQHLELTRNRTEWKKAANGADILSDVYNANPTAMKLILETFSAIPANEGGKKIAVLADMKELGDQSVQLHNQMILSLSPDVLDIVIFYGEDIAQLAQLASQMFPIGHVYYFKKTEDQDQFEDLVKQVKESLGAHDQILLKGSNSMNLAKLVESLENEDK
Consensus [pKd Mean = 11.50]	-	1295 (s=0)	9 (s=0)	MKLTIHEIAQVVGAKNDISIFEDTQLEKAEFDSRLIGTGDLFVPLKGARDGHDFIETAFENGAAVTLSEKEVSNHPYILVDDVLTAFQSLASYYLEKTTVDVFAVTGSNGKTTTKDMLAHLLSTRYKTYKTQGNYNNEIGLPYTVLHMPEGTEKLVLEMGQDHLGDIHLLSELARPKTAIVTLVGEAHLAFFKDRSEIAKGKMQIADGMASGSLLLAPADPIVEDYLPIDKKVVRFGQGAELEITDLVERKDSLTFKANFLEQALDLPVTGKYNATNAMIASYVALQEGVSEEQIRLAFQHLELTRNRTEWKKAANGADILSDVYNANPTAMKLILETFSAIPANEGGKKIAVLADMKELGDQSVQLHNQMILSLSPDVLDIVIFYGEDIAQLAQLASQMFPIGHVYYFKKTEDQDQFEDLVKQVKESLGAHDQILLKGSNSMNLAKLVESLENEDK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
PHE	31	CE2	20	1	4[O], 11[C], 2[N], 1[S],
PHE	31	CE1	26	1	2[S], 2[N], 16[C], 4[O],
PHE	31	CZ	22	1	4[O], 12[C], 2[N], 2[S],
PHE	31	CD2	20	1	3[O], 11[C], 2[N], 2[S],
PHE	31	CG	20	1	11[C], 3[O], 2[S], 2[N],
PHE	31	CD1	27	1	16[C], 4[O], 2[S], 3[N],
ASP	32	OD1	21	1	2[N], 1[S], 1[O], 17[C],
ASP	32	CG	21	1	1[O], 16[C], 2[N], 1[S],
ASP	32	OD2	21	1	2[O], 15[C], 2[N], 1[S],
SER	33	OG	21	1	5[N], 1[S], 15[C],
ARG	34	NE	19	1	1[O], 15[C], 2[N], 1[S],
ARG	34	CZ	18	1	14[C], 1[O], 1[S], 2[N],
ARG	34	CG	17	1	1[S], 1[N], 15[C],
ARG	34	CD	17	1	14[C], 1[O], 1[N], 1[S],
LEU	35	CD1	2	1	1[S], 1[O],
LEU	35	CG	3	1	1[C], 1[O], 1[S],
PHE	42	CE1	3	1	1[S], 2[C],
PHE	42	CZ	4	1	4[C],
LEU	45	CD1	13	1	1[N], 9[C], 1[O],
LEU	45	CD2	3	1	2[C],
LEU	45	CG	8	1	1[N], 5[C],
ARG	49	CG	9	1	7[C], 2[N],
ARG	49	NE	3	1	2[C], 1[N],
ARG	49	CD	6	1	1[N], 5[C],
ASP	53	OD2	1	1	1[N],
PHE	54	CZ	22	1	5[N], 1[S], 16[C],
PHE	54	CG	22	1	1[S], 5[N], 16[C],
PHE	54	CD1	23	1	16[C], 1[S], 6[N],
PHE	54	CE1	23	1	1[S], 6[N], 16[C],
PHE	54	CD2	22	1	17[C], 4[N], 1[S],
PHE	54	CE2	22	1	1[S], 4[N], 17[C],
THR	57	CG2	14	1	5[N], 9[C],
THR	57	OG1	13	1	4[N], 9[C],
GLU	60	OE1	8	1	4[C], 4[N],
GLU	60	CD	5	1	1[C], 4[N],
GLU	60	OE2	5	1	4[N], 1[C],
GLU	60	CG	1	1	1[N],
ASN	61	CG	2	1	2[C],
ASN	61	ND2	9	1	8[C], 1[N],
ASN	61	OD1	3	1	2[C], 1[N],
PHE	87	CE2	1	1	1[C],
THR	131	CG2	1	1	1[O],
ASN	134	CG	9	1	4[C], 3[O], 1[S], 1[N],
ASN	134	ND2	9	1	4[C], 3[O], 1[S], 1[N],
ASN	134	OD1	10	1	5[C], 3[O], 1[S], 1[N],
TYR	135	CZ	18	1	4[O], 11[C], 1[N], 1[S],
TYR	135	CD1	13	1	1[S], 1[N], 7[C], 3[O],
TYR	135	CE2	18	1	11[C], 4[O], 1[S], 1[N],
TYR	135	CE1	16	1	9[C], 4[O], 1[S], 1[N],
TYR	135	CD2	12	1	1[S], 1[N], 7[C], 2[O],
TYR	135	CG	12	1	1[N], 1[S], 3[O], 6[C],
ASN	136	OD1	5	1	3[C], 1[O], 1[N],
ASN	136	ND2	3	1	2[C], 1[O],
ASN	136	CG	4	1	1[O], 3[C],
ASN	137	CG	13	1	7[C], 3[O], 1[S], 1[N],
ASN	137	ND2	13	1	7[C], 3[O], 1[S], 1[N],
ASN	137	OD1	13	1	1[S], 1[N], 7[C], 3[O],
GLU	138	CG	2	1	1[C],
GLU	138	OE1	3	1	1[O], 1[C],
GLU	138	OE2	6	1	1[O], 4[C],
GLU	138	CD	3	1	1[O], 1[C],
ILE	139	CG1	16	1	1[N], 1[S], 2[O], 10[C],
ILE	139	CD1	18	1	3[O], 11[C], 1[N], 1[S],
ILE	139	CG2	19	1	1[N], 1[S], 4[O], 11[C],
PRO	142	CD	1	1	1[O],
TYR	143	CE1	2	1	2[C],
TYR	143	CD2	3	1	2[C], 1[O],
TYR	143	CG	3	1	1[O], 2[C],
TYR	143	CD1	3	1	2[C], 1[O],
TYR	143	CE2	2	1	2[C],
TYR	143	CZ	2	1	2[C],
THR	144	OG1	2	1	1[C], 1[O],
ASP	162	OD2	1	1	1[C],
ASP	323	OD2	2	1	2[O],
ASN	326	CG	16	1	1[N], 1[S], 4[O], 9[C],
ASN	326	ND2	14	1	8[C], 3[O], 1[S], 1[N],
ASN	326	OD1	15	1	1[S], 1[N], 9[C], 4[O],
ASN	328	OD1	28	1	4[N], 2[S], 3[O], 17[C],
ASN	328	ND2	27	1	4[O], 17[C], 2[N], 2[S],
ASN	328	CG	28	1	2[S], 4[N], 17[C], 3[O],
PRO	329	CD	22	1	1[S], 3[N], 15[C], 2[O],
PRO	329	CG	18	1	1[O], 13[C], 3[N], 1[S],
THR	330	CG2	25	1	3[O], 15[C], 3[N], 2[S],
THR	330	OG1	26	1	16[C], 3[O], 2[S], 3[N],
LYS	333	CD	1	1	1[N],
LEU	334	CG	14	1	1[S], 1[N], 9[C], 2[O],
LEU	334	CD1	18	1	11[C], 3[O], 1[S], 1[N],
LEU	334	CD2	8	1	1[S], 1[N], 4[C], 1[O],
LEU	360	CD1	12	1	1[S], 1[N], 10[C],
LEU	360	CG	13	1	11[C], 1[N], 1[S],
LEU	360	CD2	19	1	15[C], 1[S], 3[N],
ASP	362	OD2	8	1	4[C], 4[N],
ASP	362	OD1	5	1	2[C], 3[N],
ASP	362	CG	8	1	4[C], 4[N],
GLN	363	CD	15	1	10[C], 5[N],
GLN	363	NE2	16	1	11[C], 5[N],
GLN	363	CG	15	1	5[N], 10[C],
GLN	363	OE1	12	1	8[C], 4[N],
LEU	367	CD2	19	1	15[C], 3[N], 1[S],
LEU	367	CD1	21	1	4[N], 1[S], 16[C],
LEU	367	CG	19	1	3[N], 16[C],
GLN	370	CG	2	1	1[C], 1[N],
GLN	370	CD	1	1	1[N],
MET	371	CE	2	1	1[N], 1[C],
LYS	438	CE	2	1	2[O],
LYS	438	NZ	2	1	2[O],
Total = 106


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