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_A_5(4E01) / Model_8(4E01/A) = [8.0]	Download	1221.88	23.90	MILASVLRSGPGGGLPLRPLLGPALALRARSTSATDTHHVEMARERSKTVTSFYNQSAIDAAAEKPSVRLTPTMMLYAGRSQDGSHLLKSARYLQQELPVRIAHRIKGFRCLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEAQYCQLVRQLLDDHKDVVTLLAEGLRESRKHIEDEKLVRYFLDKTLTSRLGIRMLATHHLALHEDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHVAARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVDLIIRISDRGGGIAHKDLDRVMDYHFTTAEASTQDPRISPLFGHLDMHSGAQSGPMHGFGFGLPTSRAYAEYLGGSLQLQSLQGIGTDVYLRLRHIDGREESFRI
Complex: SAP_A_9(1GJV) / Model_13(1GJV/A) = [7.0]	Download	1042.58	25.63	MILASVLRSGPGGGLPLRPLLGPALALRARSTSATDTHHVEMARERSKTVTSFYNQSAIDAAAEKPSVRLTPTMMLYAGRSQDGSHLLKSARYLQQELPVRIAHRIKGFRCLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEAQYCQLVRQLLDDHKDVVTLLAEGLRESRKHIEDEKLVRYFLDKTLTSRLGIRMLATHHLALHEDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHVAARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVDLIIRISDRGGGIAHKDLDRVMDYHFTTAEASTQDPRISPLFGHLDMHSGAQSGPMHGFGFGLPTSRAYAEYLGGSLQLQSLQGIGTDVYLRLRHIDGREESFRI
Complex: ADP_A_2(4H7Q) / Model_9(4H7Q/A) = [6.6]	Download	930.89	23.00	MILASVLRSGPGGGLPLRPLLGPALALRARSTSATDTHHVEMARERSKTVTSFYNQSAIDAAAEKPSVRLTPTMMLYAGRSQDGSHLLKSARYLQQELPVRIAHRIKGFRCLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEAQYCQLVRQLLDDHKDVVTLLAEGLRESRKHIEDEKLVRYFLDKTLTSRLGIRMLATHHLALHEDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHVAARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVDLIIRISDRGGGIAHKDLDRVMDYHFTTAEASTQDPRISPLFGHLDMHSGAQSGPMHGFGFGLPTSRAYAEYLGGSLQLQSLQGIGTDVYLRLRHIDGREESFRI
Consensus [pKd Mean = 7.20]	-	1065 (s=119)	24 (s=1)	MILASVLRSGPGGGLPLRPLLGPALALRARSTSATDTHHVEMARERSKTVTSFYNQSAIDAAAEKPSVRLTPTMMLYAGRSQDGSHLLKSARYLQQELPVRIAHRIKGFRCLPFIIGCNPTILHVHELYIRAFQKLTDFPPIKDQADEAQYCQLVRQLLDDHKDVVTLLAEGLRESRKHIEDEKLVRYFLDKTLTSRLGIRMLATHHLALHEDKPDFVGIICTRLSPKKIIEKWVDFARRLCEHKYGNAPRVRINGHVAARFPFIPMPLDYILPELLKNAMRATMESHLDTPYNVPDVVITIANNDVDLIIRISDRGGGIAHKDLDRVMDYHFTTAEASTQDPRISPLFGHLDMHSGAQSGPMHGFGFGLPTSRAYAEYLGGSLQLQSLQGIGTDVYLRLRHIDGREESFRI

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
TYR	271	CE1	1	3	1[O],
TYR	271	CZ	2	3	1[O], 1[S],
TYR	271	CE2	1	3	1[O],
GLU	275	OE2	14	3	1[S], 2[P], 1[N], 10[O],
GLU	275	CG	19	3	5[P], 1[S], 13[O],
GLU	275	OE1	33	3	1[S], 8[P], 1[N], 23[O],
GLU	275	CD	29	3	8[P], 1[S], 19[O], 1[N],
LEU	276	CD2	20	3	6[N], 5[C], 6[O], 3[P],
LEU	276	CG	6	3	3[N], 3[O],
LYS	278	CE	18	3	13[O], 1[N], 3[P], 1[S],
LYS	278	CG	9	3	7[O], 2[P],
LYS	278	CD	12	3	8[O], 3[P], 1[S],
LYS	278	NZ	19	3	1[N], 13[O], 1[S], 4[P],
ASN	279	OD1	89	3	34[O], 30[C], 16[N], 8[P], 1[S],
ASN	279	ND2	87	3	30[C], 16[N], 33[O], 8[P],
ASN	279	CG	88	3	8[P], 30[C], 16[N], 34[O],
ARG	282	CG	28	3	10[O], 11[C], 4[N], 3[P],
ARG	282	NE	76	3	30[C], 12[N], 27[O], 7[P],
ARG	282	CZ	64	3	23[O], 10[N], 27[C], 4[P],
ARG	282	CD	41	3	4[P], 6[N], 15[C], 16[O],
THR	284	OG1	9	3	3[C], 6[N],
SER	287	OG	5	3	3[N], 2[C],
ILE	313	CG2	3	3	3[N],
ASP	315	OD2	24	3	12[N], 12[C],
ASP	315	OD1	30	3	15[N], 15[C],
ASP	315	CG	24	3	12[C], 12[N],
ILE	320	CD1	54	3	9[O], 30[C], 15[N],
ILE	320	CG1	54	3	9[O], 30[C], 15[N],
ILE	320	CG2	51	3	6[O], 30[C], 15[N],
ASP	324	OD2	31	3	6[N], 16[C], 9[O],
ASP	324	CG	24	3	9[O], 12[C], 3[N],
ASP	324	OD1	13	3	8[C], 5[O],
LEU	325	CD1	2	3	1[C], 1[O],
VAL	328	CG2	50	3	3[P], 14[O], 24[C], 9[N],
VAL	328	CG1	69	3	3[P], 12[N], 30[C], 24[O],
MET	329	CE	3	3	3[O],
MET	329	SD	19	3	5[C], 11[O], 3[P],
MET	329	CG	4	3	3[O], 1[C],
TYR	331	CD2	3	3	3[O],
PHE	333	CE1	23	3	9[O], 14[C],
PHE	333	CZ	30	3	15[O], 15[C],
PHE	333	CG	39	3	21[O], 15[C], 3[P],
PHE	333	CD1	19	3	10[C], 9[O],
PHE	333	CE2	50	3	5[P], 21[O], 20[C], 4[N],
PHE	333	CD2	48	3	6[P], 3[N], 18[C], 21[O],
THR	334	CG2	49	3	12[C], 1[N], 27[O], 1[S], 8[P],
THR	334	OG1	59	3	34[O], 1[N], 15[C], 8[P], 1[S],
THR	335	CG2	44	3	1[P], 6[N], 22[C], 15[O],
THR	335	OG1	63	3	4[P], 27[C], 10[N], 22[O],
PHE	366	CG	13	3	1[N], 8[O], 1[S], 3[P],
PHE	366	CE2	5	3	3[O], 1[P], 1[S],
PHE	366	CD1	13	3	1[N], 8[O], 1[S], 3[P],
PHE	366	CZ	5	3	1[S], 1[P], 3[O],
PHE	366	CD2	6	3	4[O], 1[S], 1[P],
PHE	366	CE1	7	3	1[S], 1[P], 5[O],
PHE	368	CE2	2	3	1[O], 1[S],
PHE	368	CD2	17	3	10[O], 1[N], 5[P], 1[S],
PHE	368	CD1	11	3	3[P], 1[S], 7[O],
PHE	368	CG	20	3	5[P], 1[S], 13[O], 1[N],
PHE	368	CE1	3	3	2[O], 1[S],
PHE	368	CZ	2	3	1[O], 1[S],
LEU	370	CD2	55	3	9[N], 25[C], 18[O], 3[P],
LEU	370	CG	73	3	7[P], 12[N], 27[C], 27[O],
LEU	370	CD1	80	3	29[O], 30[C], 15[N], 6[P],
PRO	371	CD	36	3	20[O], 6[C], 1[N], 8[P], 1[S],
PRO	371	CG	22	3	15[O], 3[C], 3[P], 1[S],
THR	372	OG1	7	3	1[S], 6[O],
SER	373	OG	8	3	1[P], 7[O],
LEU	386	CD1	37	3	6[O], 20[C], 11[N],
LEU	386	CG	22	3	9[N], 11[C], 2[O],
LEU	386	CD2	25	3	2[O], 10[N], 13[C],
SER	388	OG	15	3	9[C], 6[N],
THR	394	CG2	32	3	15[N], 17[C],
THR	394	OG1	33	3	15[N], 18[C],
VAL	396	CG1	10	3	6[N], 4[C],
VAL	396	CG2	27	3	12[N], 15[C],
Total = 76


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