Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_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 C1_S1
Complex: ANP_B_7(2ONJ) / Model_24(2ONJ/B) = [6.0]	Download	1407.51	19.29	MNFNHVYFGYDENRPVLKDITCSIFKGQKIAFVGPSGSGKSTIVRLLEQFYKPLSGDILMEQSSIYDFNLKEWRSKIAWVSQNNAVLSGSIRDNLCLGLNRLVTDDELMKVLDLVSLGDEIRSMKEGLDTEVGERGRLLSGGAKPKTSNS
Complex: ATP_C_9(1MV5) / Model_22(1MV5/C) = [6.0]	Download	1082.44	6.57	MNFNHVYFGYDENRPVLKDITCSIFKGQKIAFVGPSGSGKSTIVRLLEQFYKPLSGDILMEQSSIYDFNLKEWRSKIAWVSQNNAVLSGSIRDNLCLGLNRLVTDDELMKVLDLVSLGDEIRSMKEGLDTEVGERGRLLSGGAKPKTSNS
Complex: ADP_A_5(2HYD) / Model_2(2HYD/A) = [4.9]	Download	1180.39	18.69	MNFNHVYFGYDENRPVLKDITCSIFKGQKIAFVGPSGSGKSTIVRLLEQFYKPLSGDILMEQSSIYDFNLKEWRSKIAWVSQNNAVLSGSIRDNLCLGLNRLVTDDELMKVLDLVSLGDEIRSMKEGLDTEVGERGRLLSGGAKPKTSNS
Consensus [pKd Mean = 5.63]	-	1223 (s=136)	14 (s=5)	MNFNHVYFGYDENRPVLKDITCSIFKGQKIAFVGPSGSGKSTIVRLLEQFYKPLSGDILMEQSSIYDFNLKEWRSKIAWVSQNNAVLSGSIRDNLCLGLNRLVTDDELMKVLDLVSLGDEIRSMKEGLDTEVGERGRLLSGGAKPKTSNS

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
PHE	8	CE2	35	3	17[C], 15[N], 3[O],
PHE	8	CZ	23	3	11[C], 11[N], 1[O],
PHE	8	CD2	23	3	13[C], 3[O], 7[N],
TYR	10	CZ	66	3	15[N], 18[O], 30[C], 3[P],
TYR	10	CG	51	3	7[O], 15[N], 29[C],
TYR	10	CE1	63	3	16[O], 15[N], 3[P], 29[C],
TYR	10	CE2	61	3	15[O], 15[N], 30[C], 1[P],
TYR	10	CD2	55	3	15[N], 10[O], 1[P], 29[C],
TYR	10	CD1	53	3	27[C], 15[N], 11[O],
ASP	11	OD2	12	3	1[O], 5[N], 6[C],
ASP	11	OD1	8	3	4[C], 4[N],
ASP	11	CG	10	3	5[N], 5[C],
ASN	13	ND2	7	3	4[C], 1[O], 2[N],
ASN	13	OD1	8	3	4[C], 1[O], 3[N],
ASN	13	CG	5	3	2[C], 1[O], 2[N],
ARG	14	CD	39	3	8[O], 11[N], 20[C],
ARG	14	CG	22	3	11[C], 6[N], 5[O],
ARG	14	CZ	39	3	22[C], 10[N], 7[O],
ARG	14	NE	41	3	10[N], 7[O], 24[C],
VAL	16	CG1	63	3	27[C], 5[P], 22[O], 9[N],
VAL	16	CG2	60	3	3[P], 27[C], 12[N], 18[O],
LEU	17	CD2	14	3	10[O], 3[P], 1[C],
LEU	17	CD1	4	3	4[O],
LEU	17	CG	9	3	7[O], 1[C], 1[P],
PHE	32	CD2	1	3	1[O],
PHE	32	CG	1	3	1[O],
PRO	35	CG	1	3	1[O],
PRO	35	CD	2	3	2[O],
SER	36	OG	40	3	1[N], 26[O], 5[C], 8[P],
SER	38	OG	35	3	23[O], 1[N], 8[P], 3[C],
LYS	40	CE	36	3	1[N], 26[O], 1[C], 8[P],
LYS	40	NZ	35	3	8[P], 1[C], 25[O], 1[N],
LYS	40	CD	32	3	8[P], 1[N], 23[O],
LYS	40	CG	32	3	8[P], 23[O], 1[N],
SER	41	OG	47	3	3[N], 28[O], 8[C], 8[P],
THR	42	CG2	60	3	18[O], 10[N], 5[P], 27[C],
THR	42	OG1	82	3	31[O], 14[N], 7[P], 30[C],
ILE	43	CD1	9	3	8[O], 1[P],
ILE	43	CG1	12	3	3[P], 9[O],
VAL	44	CG2	5	3	5[O],
ARG	45	CG	9	3	3[N], 4[O], 1[C], 1[P],
ARG	45	CZ	62	3	19[O], 13[N], 5[P], 25[C],
ARG	45	CD	20	3	5[O], 6[N], 8[C], 1[P],
ARG	45	NE	46	3	17[O], 11[N], 4[P], 14[C],
TYR	51	CE2	21	3	11[C], 10[N],
TYR	51	CZ	28	3	15[C], 13[N],
TYR	51	CE1	26	3	12[N], 14[C],
TYR	51	CD1	18	3	10[C], 8[N],
TYR	51	CG	8	3	4[C], 4[N],
TYR	51	CD2	13	3	7[C], 6[N],
GLN	82	CD	13	3	3[P], 9[O], 1[N],
GLN	82	CG	8	3	6[O], 1[N], 1[P],
GLN	82	OE1	15	3	10[O], 1[N], 4[P],
GLN	82	NE2	11	3	2[P], 1[N], 8[O],
Total = 54


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