Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C5_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 C5_S1
Complex: GDP_A_2(2DBY) / Model_3(2DBY/A) = [8.2]	Download	1090.72	5.76	MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLTEMITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPLADIDTINLELILADLESVNKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTDEEQKVVKGLFLLTTKPVLYVANVDEDVVSEPDSIDYVKQIREFAATENAEVVVISARAEEEISELDDEDKKEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGMKAPQAAGIIHSDFEKGFIRAVTMSYEDLVKYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV
Complex: ANP_B_9(5EE3) / Model_22(5EE3/B) = [6.8]	Download	1441.79	8.16	MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLTEMITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPLADIDTINLELILADLESVNKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTDEEQKVVKGLFLLTTKPVLYVANVDEDVVSEPDSIDYVKQIREFAATENAEVVVISARAEEEISELDDEDKKEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGMKAPQAAGIIHSDFEKGFIRAVTMSYEDLVKYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV
Complex: GNP_A_3(5EE9) / Model_6(5EE9/A) = [5.8]	Download	1097.66	7.13	MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLTEMITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPLADIDTINLELILADLESVNKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTDEEQKVVKGLFLLTTKPVLYVANVDEDVVSEPDSIDYVKQIREFAATENAEVVVISARAEEEISELDDEDKKEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGMKAPQAAGIIHSDFEKGFIRAVTMSYEDLVKYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV
Consensus [pKd Mean = 6.93]	-	1210 (s=163)	7 (s=0)	MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLTEMITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPLADIDTINLELILADLESVNKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTDEEQKVVKGLFLLTTKPVLYVANVDEDVVSEPDSIDYVKQIREFAATENAEVVVISARAEEEISELDDEDKKEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGMKAPQAAGIIHSDFEKGFIRAVTMSYEDLVKYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV

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	11[O], 2[N], 5[P],
PRO	11	CG	18	3	5[P], 2[N], 11[O],
ASN	12	ND2	59	3	18[C], 26[O], 7[N], 8[P],
ASN	12	OD1	62	3	30[O], 17[C], 8[P], 7[N],
ASN	12	CG	64	3	17[C], 32[O], 7[N], 8[P],
VAL	13	CG1	28	3	4[N], 6[P], 3[C], 15[O],
VAL	13	CG2	40	3	5[N], 8[P], 5[C], 22[O],
LYS	15	NZ	27	3	1[C], 18[O], 2[N], 6[P],
LYS	15	CD	29	3	2[N], 7[P], 20[O],
LYS	15	CE	30	3	2[N], 7[P], 21[O],
LYS	15	CG	33	3	23[O], 2[N], 8[P],
SER	16	OG	47	3	8[C], 28[O], 3[N], 8[P],
THR	17	OG1	79	3	29[C], 30[O], 14[N], 6[P],
THR	17	CG2	66	3	28[C], 24[O], 11[N], 3[P],
PHE	19	CD1	1	3	1[O],
ASN	20	OD1	4	3	4[O],
ASN	20	ND2	15	3	2[C], 10[O], 3[P],
ASN	20	CG	5	3	1[P], 4[O],
ASP	72	OD1	21	3	14[O], 2[N], 5[P],
ASP	72	OD2	18	3	5[P], 2[N], 11[O],
ASP	72	CG	12	3	4[P], 8[O],
VAL	77	CG2	3	3	2[O], 1[P],
LYS	78	CE	3	3	1[P], 2[O],
LYS	78	CG	3	3	2[O], 1[P],
LYS	78	CD	2	3	2[O],
LEU	86	CD1	1	3	1[O],
PHE	90	CD2	3	3	2[O], 1[P],
PHE	90	CZ	2	3	2[O],
PHE	90	CE2	5	3	4[O], 1[P],
PHE	90	CE1	1	3	1[O],
VAL	103	CG1	16	3	9[O], 1[C], 3[P], 3[N],
VAL	103	CG2	3	3	3[O],
ARG	105	NE	39	3	18[C], 9[O], 10[N], 2[P],
ARG	105	CD	23	3	7[N], 12[C], 4[O],
ARG	105	CZ	36	3	2[P], 9[N], 11[O], 14[C],
ARG	105	CG	25	3	8[N], 3[O], 14[C],
PHE	107	CE2	55	3	15[N], 29[C], 11[O],
PHE	107	CD1	41	3	4[O], 22[C], 15[N],
PHE	107	CZ	63	3	15[N], 2[P], 29[C], 17[O],
PHE	107	CE1	52	3	15[N], 11[O], 26[C],
PHE	107	CG	39	3	15[N], 5[O], 19[C],
PHE	107	CD2	44	3	22[C], 7[O], 15[N],
ASP	109	OD2	23	3	6[N], 12[C], 5[O],
ASP	109	CG	23	3	12[C], 4[O], 7[N],
ASP	109	OD1	18	3	6[N], 9[C], 3[O],
GLU	110	CD	1	3	1[O],
GLU	110	OE2	1	3	1[O],
GLU	110	OE1	1	3	1[O],
GLU	110	CG	1	3	1[O],
ASN	212	CG	40	3	7[O], 18[C], 15[N],
ASN	212	OD1	36	3	15[N], 4[O], 17[C],
ASN	212	ND2	63	3	26[C], 18[O], 15[N], 4[P],
VAL	213	CG2	7	3	3[N], 2[C], 2[O],
VAL	213	CG1	4	3	1[C], 1[O], 2[N],
ASP	214	OD2	18	3	9[C], 1[O], 8[N],
ASP	214	OD1	32	3	13[N], 16[C], 3[O],
ASP	214	CG	23	3	2[O], 10[C], 11[N],
GLU	215	OE2	2	3	2[N],
GLU	215	CG	5	3	2[C], 1[O], 2[N],
GLU	215	CD	5	3	2[N], 1[O], 2[C],
GLU	215	OE1	5	3	2[C], 1[O], 2[N],
VAL	217	CG2	1	3	1[O],
VAL	218	CG2	2	3	1[N], 1[C],
ILE	244	CG2	1	3	1[N],
ILE	244	CG1	2	3	1[O], 1[N],
ILE	244	CD1	1	3	1[O],
SER	245	OG	23	3	10[N], 11[C], 2[O],
ARG	247	CZ	26	3	3[O], 13[C], 10[N],
ARG	247	NE	27	3	13[C], 3[O], 11[N],
ARG	247	CG	38	3	14[N], 19[C], 5[O],
ARG	247	CD	37	3	13[N], 18[C], 6[O],
GLU	249	CG	1	3	1[O],
GLU	250	OE1	42	3	11[N], 1[P], 21[C], 9[O],
GLU	250	OE2	4	3	2[C], 2[O],
GLU	250	CD	9	3	3[C], 4[O], 2[N],
GLU	251	OE2	4	3	2[C], 2[N],
Total = 78


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