Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: GDP_A_2(2DBY) / Model_81(2DBY/A) = [8.2]	Download	1248.59	6.86	MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDWRLQRLTELVHPKKTVPTTFEFTDIAGIVKGASKGEGLGNQFLSHIRQVDAICHVVRCFDDDNITHVEGRVDPLEDIDTINLELVLADLESINKRYTRVAKVAKTKDKDAVAELAVLDKIKPVLEEGKSARTIEFTEEEQKIVKSLFLLTTKPILYVANVSEDDVADADANHYVQEVRNFAAEENAEVIVVSARAEEEIAELDEEDKAEFLEALGIEESGLDQLIRAAYDLLGLATYFTAGEQEVRAWTFKKGIKAPQAAGIIHSDFERGFIRAETVSFEDLDHYGNMHAAKEAGRVRLEGKDYVVQDGDVMLFRFNV
Complex: ANP_B_9(5EE3) / Model_22(5EE3/B) = [6.8]	Download	1358.74	10.16	MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDWRLQRLTELVHPKKTVPTTFEFTDIAGIVKGASKGEGLGNQFLSHIRQVDAICHVVRCFDDDNITHVEGRVDPLEDIDTINLELVLADLESINKRYTRVAKVAKTKDKDAVAELAVLDKIKPVLEEGKSARTIEFTEEEQKIVKSLFLLTTKPILYVANVSEDDVADADANHYVQEVRNFAAEENAEVIVVSARAEEEIAELDEEDKAEFLEALGIEESGLDQLIRAAYDLLGLATYFTAGEQEVRAWTFKKGIKAPQAAGIIHSDFERGFIRAETVSFEDLDHYGNMHAAKEAGRVRLEGKDYVVQDGDVMLFRFNV
Complex: GNP_A_3(5EE9) / Model_6(5EE9/A) = [5.5]	Download	1008.91	8.73	MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDWRLQRLTELVHPKKTVPTTFEFTDIAGIVKGASKGEGLGNQFLSHIRQVDAICHVVRCFDDDNITHVEGRVDPLEDIDTINLELVLADLESINKRYTRVAKVAKTKDKDAVAELAVLDKIKPVLEEGKSARTIEFTEEEQKIVKSLFLLTTKPILYVANVSEDDVADADANHYVQEVRNFAAEENAEVIVVSARAEEEIAELDEEDKAEFLEALGIEESGLDQLIRAAYDLLGLATYFTAGEQEVRAWTFKKGIKAPQAAGIIHSDFERGFIRAETVSFEDLDHYGNMHAAKEAGRVRLEGKDYVVQDGDVMLFRFNV
Consensus [pKd Mean = 6.83]	-	1205 (s=146)	8 (s=1)	MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDWRLQRLTELVHPKKTVPTTFEFTDIAGIVKGASKGEGLGNQFLSHIRQVDAICHVVRCFDDDNITHVEGRVDPLEDIDTINLELVLADLESINKRYTRVAKVAKTKDKDAVAELAVLDKIKPVLEEGKSARTIEFTEEEQKIVKSLFLLTTKPILYVANVSEDDVADADANHYVQEVRNFAAEENAEVIVVSARAEEEIAELDEEDKAEFLEALGIEESGLDQLIRAAYDLLGLATYFTAGEQEVRAWTFKKGIKAPQAAGIIHSDFERGFIRAETVSFEDLDHYGNMHAAKEAGRVRLEGKDYVVQDGDVMLFRFNV

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ILE	7	CD1	1	3	1[O],
ILE	7	CG2	6	3	2[P], 4[O],
PRO	11	CD	18	3	2[N], 5[P], 11[O],
PRO	11	CG	18	3	5[P], 11[O], 2[N],
ASN	12	OD1	62	3	7[N], 17[C], 30[O], 8[P],
ASN	12	CG	64	3	32[O], 8[P], 17[C], 7[N],
ASN	12	ND2	59	3	26[O], 8[P], 7[N], 18[C],
VAL	13	CG2	40	3	8[P], 22[O], 5[C], 5[N],
VAL	13	CG1	28	3	15[O], 6[P], 3[C], 4[N],
LYS	15	CG	33	3	23[O], 8[P], 2[N],
LYS	15	CD	29	3	20[O], 7[P], 2[N],
LYS	15	NZ	27	3	6[P], 18[O], 2[N], 1[C],
LYS	15	CE	30	3	2[N], 21[O], 7[P],
SER	16	OG	47	3	3[N], 8[C], 8[P], 28[O],
THR	17	OG1	79	3	29[C], 14[N], 30[O], 6[P],
THR	17	CG2	66	3	3[P], 24[O], 28[C], 11[N],
PHE	19	CD1	1	3	1[O],
ASN	20	CG	5	3	1[P], 4[O],
ASN	20	OD1	4	3	4[O],
ASN	20	ND2	15	3	2[C], 3[P], 10[O],
ASP	72	CG	12	3	8[O], 4[P],
ASP	72	OD2	18	3	11[O], 5[P], 2[N],
ASP	72	OD1	21	3	2[N], 14[O], 5[P],
VAL	77	CG2	3	3	1[P], 2[O],
LYS	78	CE	3	3	1[P], 2[O],
LYS	78	CG	3	3	1[P], 2[O],
LYS	78	CD	2	3	2[O],
LEU	86	CD1	1	3	1[O],
PHE	90	CE2	5	3	4[O], 1[P],
PHE	90	CD2	3	3	1[P], 2[O],
PHE	90	CZ	2	3	2[O],
PHE	90	CE1	1	3	1[O],
VAL	103	CG2	3	3	3[O],
VAL	103	CG1	16	3	3[P], 9[O], 1[C], 3[N],
ARG	105	CG	25	3	3[O], 14[C], 8[N],
ARG	105	CZ	36	3	2[P], 11[O], 14[C], 9[N],
ARG	105	NE	39	3	10[N], 18[C], 9[O], 2[P],
ARG	105	CD	23	3	7[N], 12[C], 4[O],
PHE	107	CG	39	3	19[C], 15[N], 5[O],
PHE	107	CE2	55	3	11[O], 15[N], 29[C],
PHE	107	CD1	41	3	22[C], 15[N], 4[O],
PHE	107	CE1	52	3	15[N], 26[C], 11[O],
PHE	107	CD2	44	3	22[C], 15[N], 7[O],
PHE	107	CZ	63	3	15[N], 29[C], 17[O], 2[P],
ASP	109	CG	23	3	4[O], 12[C], 7[N],
ASP	109	OD1	18	3	3[O], 9[C], 6[N],
ASP	109	OD2	23	3	12[C], 6[N], 5[O],
ASN	207	ND2	63	3	4[P], 18[O], 26[C], 15[N],
ASN	207	CG	40	3	7[O], 15[N], 18[C],
ASN	207	OD1	36	3	17[C], 15[N], 4[O],
VAL	208	CG1	4	3	1[O], 1[C], 2[N],
VAL	208	CG2	7	3	3[N], 2[C], 2[O],
SER	209	OG	10	3	4[C], 5[N], 1[O],
GLU	210	OE1	5	3	2[N], 2[C], 1[O],
GLU	210	CG	5	3	1[O], 2[C], 2[N],
GLU	210	OE2	2	3	2[N],
GLU	210	CD	5	3	2[C], 2[N], 1[O],
VAL	213	CG2	2	3	1[C], 1[N],
VAL	239	CG2	4	3	1[O], 2[N], 1[C],
SER	240	OG	23	3	11[C], 10[N], 2[O],
ARG	242	CZ	32	3	13[N], 16[C], 3[O],
ARG	242	CG	42	3	5[O], 15[N], 22[C],
ARG	242	CD	42	3	21[C], 15[N], 6[O],
ARG	242	NE	32	3	14[N], 15[C], 3[O],
GLU	244	CG	1	3	1[O],
GLU	245	OE1	42	3	1[P], 9[O], 21[C], 11[N],
GLU	245	CD	9	3	4[O], 2[N], 3[C],
GLU	245	OE2	4	3	2[C], 2[O],
GLU	246	OE2	4	3	2[N], 2[C],
Total = 69


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