Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_A_5(2YW2) / Model_39(2YW2/A) = [6.3]	Download	980.16	17.91	MKLLVVGSGGREHAIAKKLLESKDVEKVFVAPGNDGMTLDGLELVNISISEHSKLIDFAKTNDVAWTFIGPDDALAAGIVDDFNQAGLKAFGPTRAAAELEWSKDFAKEIMVKYGVSTAAYGTFSDFEEAKAYIEKHGAPIVVKADGLALGKGVVVAETVEQAVEAAHEMLLDNKFGDSGARVVIEEFLEGEEFSLFAFVNGDKFYIMPTAQDHKRAYDGDKGPNTGGMGAYAPVPHLPQSVVDTAVDTIVKPVLEGIIKEGRPYLGVIYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNITDILDGKEPNIMWTDKGVTLGVVVASKGYPLDYERGVELPAKTEGDVITYYAGAKFAENSRALLSNGGRVYMLVTTADTVKEAQASIYQELSQQKIEGLFYRTDIGSKAIK
Complex: ANP_A_2(2XCL) / Model_6(2XCL/A) = [5.3]	Download	1321.14	5.67	MKLLVVGSGGREHAIAKKLLESKDVEKVFVAPGNDGMTLDGLELVNISISEHSKLIDFAKTNDVAWTFIGPDDALAAGIVDDFNQAGLKAFGPTRAAAELEWSKDFAKEIMVKYGVSTAAYGTFSDFEEAKAYIEKHGAPIVVKADGLALGKGVVVAETVEQAVEAAHEMLLDNKFGDSGARVVIEEFLEGEEFSLFAFVNGDKFYIMPTAQDHKRAYDGDKGPNTGGMGAYAPVPHLPQSVVDTAVDTIVKPVLEGIIKEGRPYLGVIYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNITDILDGKEPNIMWTDKGVTLGVVVASKGYPLDYERGVELPAKTEGDVITYYAGAKFAENSRALLSNGGRVYMLVTTADTVKEAQASIYQELSQQKIEGLFYRTDIGSKAIK
Complex: ADP_A_5(2XD4) / Model_5(2XD4/A) = [4.9]	Download	876.37	11.30	MKLLVVGSGGREHAIAKKLLESKDVEKVFVAPGNDGMTLDGLELVNISISEHSKLIDFAKTNDVAWTFIGPDDALAAGIVDDFNQAGLKAFGPTRAAAELEWSKDFAKEIMVKYGVSTAAYGTFSDFEEAKAYIEKHGAPIVVKADGLALGKGVVVAETVEQAVEAAHEMLLDNKFGDSGARVVIEEFLEGEEFSLFAFVNGDKFYIMPTAQDHKRAYDGDKGPNTGGMGAYAPVPHLPQSVVDTAVDTIVKPVLEGIIKEGRPYLGVIYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNITDILDGKEPNIMWTDKGVTLGVVVASKGYPLDYERGVELPAKTEGDVITYYAGAKFAENSRALLSNGGRVYMLVTTADTVKEAQASIYQELSQQKIEGLFYRTDIGSKAIK
Complex: AMP_A_3(2YS6) / Model_44(2YS6/A) = [4.5]	Download	1218.77	14.52	MKLLVVGSGGREHAIAKKLLESKDVEKVFVAPGNDGMTLDGLELVNISISEHSKLIDFAKTNDVAWTFIGPDDALAAGIVDDFNQAGLKAFGPTRAAAELEWSKDFAKEIMVKYGVSTAAYGTFSDFEEAKAYIEKHGAPIVVKADGLALGKGVVVAETVEQAVEAAHEMLLDNKFGDSGARVVIEEFLEGEEFSLFAFVNGDKFYIMPTAQDHKRAYDGDKGPNTGGMGAYAPVPHLPQSVVDTAVDTIVKPVLEGIIKEGRPYLGVIYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNITDILDGKEPNIMWTDKGVTLGVVVASKGYPLDYERGVELPAKTEGDVITYYAGAKFAENSRALLSNGGRVYMLVTTADTVKEAQASIYQELSQQKIEGLFYRTDIGSKAIK
Consensus [pKd Mean = 5.25]	-	1099 (s=178)	12 (s=4)	MKLLVVGSGGREHAIAKKLLESKDVEKVFVAPGNDGMTLDGLELVNISISEHSKLIDFAKTNDVAWTFIGPDDALAAGIVDDFNQAGLKAFGPTRAAAELEWSKDFAKEIMVKYGVSTAAYGTFSDFEEAKAYIEKHGAPIVVKADGLALGKGVVVAETVEQAVEAAHEMLLDNKFGDSGARVVIEEFLEGEEFSLFAFVNGDKFYIMPTAQDHKRAYDGDKGPNTGGMGAYAPVPHLPQSVVDTAVDTIVKPVLEGIIKEGRPYLGVIYAGLILTADGPKVIEFNSRFGDPETQIILPRLTSDFAQNITDILDGKEPNIMWTDKGVTLGVVVASKGYPLDYERGVELPAKTEGDVITYYAGAKFAENSRALLSNGGRVYMLVTTADTVKEAQASIYQELSQQKIEGLFYRTDIGSKAIK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ARG	11	CZ	1	4	1[O],
ASP	72	CG	4	4	3[O], 1[P],
ASP	72	OD2	6	4	1[P], 5[O],
ASP	72	OD1	3	4	2[O], 1[P],
GLU	101	CG	12	4	1[N], 3[P], 8[O],
GLU	101	OE2	17	4	12[O], 4[P], 1[N],
GLU	101	CD	11	4	2[P], 8[O], 1[N],
GLU	101	OE1	6	4	1[P], 5[O],
LYS	104	NZ	51	4	26[O], 7[P], 6[N], 12[C],
LYS	104	CG	17	4	12[O], 5[P],
LYS	104	CD	31	4	3[N], 3[C], 6[P], 19[O],
LYS	104	CE	52	4	11[C], 6[N], 8[P], 27[O],
LYS	108	NZ	14	4	9[N], 5[C],
LYS	108	CD	1	4	1[N],
LYS	108	CE	5	4	5[N],
THR	118	OG1	4	4	4[N],
TYR	121	CD1	1	4	1[N],
VAL	142	CG2	50	4	4[O], 20[N], 26[C],
VAL	142	CG1	64	4	1[P], 9[O], 20[N], 34[C],
LYS	144	CE	86	4	19[N], 36[C], 25[O], 6[P],
LYS	144	CG	53	4	10[N], 19[C], 6[P], 18[O],
LYS	144	NZ	92	4	38[C], 20[N], 6[P], 28[O],
LYS	144	CD	65	4	23[C], 14[N], 21[O], 7[P],
LEU	148	CD1	1	4	1[O],
LEU	148	CG	7	4	1[P], 6[O],
LEU	148	CD2	13	4	3[P], 9[O], 1[N],
LEU	150	CD2	1	4	1[O],
LEU	150	CG	2	4	2[O],
LYS	152	CD	5	4	1[P], 4[O],
LYS	152	CG	6	4	5[O], 1[P],
LYS	152	CE	1	4	1[O],
VAL	154	CG2	69	4	24[C], 7[N], 30[O], 8[P],
VAL	154	CG1	88	4	32[O], 7[P], 32[C], 17[N],
VAL	155	CG2	1	4	1[O],
VAL	156	CG1	45	4	7[O], 23[C], 15[N],
VAL	156	CG2	61	4	1[P], 12[O], 31[C], 17[N],
MET	170	CE	2	4	2[O],
PHE	176	CZ	3	4	2[O], 1[P],
PHE	176	CD1	1	4	1[O],
PHE	176	CE2	3	4	1[P], 2[O],
PHE	176	CG	1	4	1[O],
PHE	176	CD2	1	4	1[O],
PHE	176	CE1	1	4	1[O],
GLU	186	CG	36	4	1[O], 17[N], 18[C],
GLU	186	OE1	54	4	23[C], 19[N], 2[P], 10[O],
GLU	186	OE2	38	4	1[P], 4[O], 18[C], 15[N],
GLU	186	CD	44	4	19[C], 19[N], 4[O], 2[P],
GLU	187	CG	14	4	7[N], 7[C],
GLU	187	OE1	3	4	3[N],
GLU	187	OE2	4	4	4[N],
GLU	187	CD	10	4	7[N], 3[C],
PHE	188	CD2	26	4	14[C], 12[N],
PHE	188	CZ	37	4	15[N], 20[C], 2[O],
PHE	188	CD1	47	4	24[C], 20[N], 3[O],
PHE	188	CE1	51	4	25[C], 20[N], 6[O],
PHE	188	CG	34	4	16[C], 18[N],
PHE	188	CE2	25	4	11[N], 14[C],
LEU	189	CD1	38	4	19[C], 19[N],
LEU	189	CD2	23	4	11[N], 12[C],
LEU	189	CG	38	4	19[N], 19[C],
GLU	190	CG	8	4	4[C], 4[N],
GLU	193	OE2	76	4	19[O], 3[P], 15[N], 39[C],
GLU	193	CG	60	4	14[O], 12[N], 34[C],
GLU	193	OE1	86	4	17[N], 40[C], 24[O], 5[P],
GLU	193	CD	79	4	40[C], 15[N], 3[P], 21[O],
SER	195	OG	3	4	3[O],
PHE	197	CZ	1	4	1[O],
PHE	197	CE1	1	4	1[O],
ASP	213	CG	11	4	1[P], 8[O], 1[C], 1[N],
ASP	213	OD1	16	4	1[P], 9[O], 5[C], 1[N],
ASP	213	OD2	16	4	2[P], 10[O], 3[C], 1[N],
LYS	215	CE	78	4	5[N], 23[C], 41[O], 9[P],
LYS	215	CD	69	4	22[C], 4[N], 35[O], 8[P],
LYS	215	NZ	68	4	39[O], 8[P], 1[N], 20[C],
LYS	215	CG	57	4	28[O], 5[P], 20[C], 4[N],
ARG	216	CD	14	4	8[C], 6[O],
ARG	216	CZ	16	4	7[O], 7[C], 2[N],
ARG	216	NE	16	4	7[C], 2[N], 7[O],
ARG	216	CG	8	4	4[C], 4[O],
ASN	225	CG	59	4	3[N], 23[C], 5[P], 28[O],
ASN	225	OD1	68	4	7[P], 33[O], 24[C], 4[N],
ASN	225	ND2	58	4	4[P], 25[O], 25[C], 4[N],
THR	226	OG1	1	4	1[O],
TYR	270	CG	4	4	1[P], 2[O], 1[N],
TYR	270	CZ	16	4	1[N], 13[O], 2[P],
TYR	270	CD2	7	4	1[N], 5[O], 1[P],
TYR	270	CD1	4	4	2[O], 1[P], 1[N],
TYR	270	CE1	8	4	2[P], 5[O], 1[N],
TYR	270	CE2	16	4	1[N], 12[O], 3[P],
ILE	274	CG2	37	4	19[C], 16[N], 2[O],
ILE	274	CG1	61	4	33[C], 20[N], 8[O],
ILE	274	CD1	68	4	11[O], 37[C], 20[N],
THR	276	CG2	4	4	4[N],
ILE	283	CD1	81	4	20[N], 40[C], 2[P], 19[O],
ILE	283	CG1	80	4	20[N], 40[C], 1[P], 19[O],
ILE	283	CG2	101	4	7[P], 33[O], 21[N], 40[C],
GLU	284	CD	80	4	7[N], 26[C], 9[P], 38[O],
GLU	284	OE1	74	4	9[P], 36[O], 22[C], 7[N],
GLU	284	OE2	82	4	38[O], 8[P], 27[C], 9[N],
GLU	284	CG	72	4	20[C], 8[N], 9[P], 35[O],
ASN	286	OD1	32	4	22[O], 8[P], 1[C], 1[N],
ASN	286	ND2	27	4	1[C], 1[N], 18[O], 7[P],
ASN	286	CG	26	4	1[N], 7[P], 18[O],
ARG	288	NE	6	4	4[O], 1[P], 1[N],
ARG	288	CZ	12	4	1[N], 8[O], 3[P],
ARG	288	CD	4	4	1[P], 3[O],
ARG	288	CG	1	4	1[O],
ASP	291	OD2	1	4	1[O],
ASP	291	CG	1	4	1[O],
PRO	292	CD	5	4	3[O], 2[P],
GLU	293	CG	2	4	2[O],
GLU	293	OE2	9	4	1[N], 2[P], 6[O],
GLU	293	OE1	8	4	1[N], 2[P], 5[O],
GLU	293	CD	5	4	1[N], 2[P], 2[O],
LYS	336	NZ	3	4	3[O],
Total = 115


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