Atome 2 Filter

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

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: GSU_A_5(2RE8) / Model_19(2RE8/A) = [7.8]	Download	1104.62	18.19	MKPNDVVSNLLNNPTPNTHASVDSAQQEQQAGLDFVRQVITDDLAAGRAKQIVTRFPPEPNGYLHIGHVKAICLNFGVAEEFNGLCNLRFDDTNPDAEEQEYVDGIANDVKWLGFSWNGEPRYASGYFDQLYAWAIQLIEQGDAYVDLQSPEEIKLNRGSFVEPGKNSPYRDASVEENLARFEKMRNGELKEGEAVLRAKIDMASPNVHMRDPILYRVLHSEHHQTGDKWKIYPMYDYAHPLSDAIEGITHSLCTLEFQDHRPFYDWIVEKVKPKAVPHQYESSRLNVDYTITSKRKLRKLVEGGYVNGWDDPRMPTVVGMRRRGFTPEGLRDFCKRVGVSKTDGIVDVAMLEFCIRQSLENTAARGMAVLNPLKVTLTNLPEDLDLTHARHPNVDMGERVIPLTKEIYIDRKDFEEVPPKGFKRLIPDGEVRLRHAYVIKCDEVIKDANGEVVELKCSIDPDTLGKNPEGRKVKGVIHWVSATKGIPAEVRIYDRLFTEADPETGDDFLANLNPDSLKVVQAVIEPALAQAKPEDRFQFEREGYFVADQYDHTPEKPVFNRVLDLKDSFKPEKK
Complex: ATP_C_3(1GTR) / Model_5(1GTR/A) = [7.0]	Download	1232.07	11.19	MKPNDVVSNLLNNPTPNTHASVDSAQQEQQAGLDFVRQVITDDLAAGRAKQIVTRFPPEPNGYLHIGHVKAICLNFGVAEEFNGLCNLRFDDTNPDAEEQEYVDGIANDVKWLGFSWNGEPRYASGYFDQLYAWAIQLIEQGDAYVDLQSPEEIKLNRGSFVEPGKNSPYRDASVEENLARFEKMRNGELKEGEAVLRAKIDMASPNVHMRDPILYRVLHSEHHQTGDKWKIYPMYDYAHPLSDAIEGITHSLCTLEFQDHRPFYDWIVEKVKPKAVPHQYESSRLNVDYTITSKRKLRKLVEGGYVNGWDDPRMPTVVGMRRRGFTPEGLRDFCKRVGVSKTDGIVDVAMLEFCIRQSLENTAARGMAVLNPLKVTLTNLPEDLDLTHARHPNVDMGERVIPLTKEIYIDRKDFEEVPPKGFKRLIPDGEVRLRHAYVIKCDEVIKDANGEVVELKCSIDPDTLGKNPEGRKVKGVIHWVSATKGIPAEVRIYDRLFTEADPETGDDFLANLNPDSLKVVQAVIEPALAQAKPEDRFQFEREGYFVADQYDHTPEKPVFNRVLDLKDSFKPEKK
Complex: AMP_E_5(1ZJW) / Model_8(1ZJW/A) = [6.4]	Download	932.90	14.17	MKPNDVVSNLLNNPTPNTHASVDSAQQEQQAGLDFVRQVITDDLAAGRAKQIVTRFPPEPNGYLHIGHVKAICLNFGVAEEFNGLCNLRFDDTNPDAEEQEYVDGIANDVKWLGFSWNGEPRYASGYFDQLYAWAIQLIEQGDAYVDLQSPEEIKLNRGSFVEPGKNSPYRDASVEENLARFEKMRNGELKEGEAVLRAKIDMASPNVHMRDPILYRVLHSEHHQTGDKWKIYPMYDYAHPLSDAIEGITHSLCTLEFQDHRPFYDWIVEKVKPKAVPHQYESSRLNVDYTITSKRKLRKLVEGGYVNGWDDPRMPTVVGMRRRGFTPEGLRDFCKRVGVSKTDGIVDVAMLEFCIRQSLENTAARGMAVLNPLKVTLTNLPEDLDLTHARHPNVDMGERVIPLTKEIYIDRKDFEEVPPKGFKRLIPDGEVRLRHAYVIKCDEVIKDANGEVVELKCSIDPDTLGKNPEGRKVKGVIHWVSATKGIPAEVRIYDRLFTEADPETGDDFLANLNPDSLKVVQAVIEPALAQAKPEDRFQFEREGYFVADQYDHTPEKPVFNRVLDLKDSFKPEKK
Complex: QSI_C_3(1EUQ) / Model_12(1EUQ/A) = [5.9]	Download	939.71	18.34	MKPNDVVSNLLNNPTPNTHASVDSAQQEQQAGLDFVRQVITDDLAAGRAKQIVTRFPPEPNGYLHIGHVKAICLNFGVAEEFNGLCNLRFDDTNPDAEEQEYVDGIANDVKWLGFSWNGEPRYASGYFDQLYAWAIQLIEQGDAYVDLQSPEEIKLNRGSFVEPGKNSPYRDASVEENLARFEKMRNGELKEGEAVLRAKIDMASPNVHMRDPILYRVLHSEHHQTGDKWKIYPMYDYAHPLSDAIEGITHSLCTLEFQDHRPFYDWIVEKVKPKAVPHQYESSRLNVDYTITSKRKLRKLVEGGYVNGWDDPRMPTVVGMRRRGFTPEGLRDFCKRVGVSKTDGIVDVAMLEFCIRQSLENTAARGMAVLNPLKVTLTNLPEDLDLTHARHPNVDMGERVIPLTKEIYIDRKDFEEVPPKGFKRLIPDGEVRLRHAYVIKCDEVIKDANGEVVELKCSIDPDTLGKNPEGRKVKGVIHWVSATKGIPAEVRIYDRLFTEADPETGDDFLANLNPDSLKVVQAVIEPALAQAKPEDRFQFEREGYFVADQYDHTPEKPVFNRVLDLKDSFKPEKK
Complex: A_F_6(1EXD) / Model_14(1EXD/A) = [5.6]	Download	-	-	MKPNDVVSNLLNNPTPNTHASVDSAQQEQQAGLDFVRQVITDDLAAGRAKQIVTRFPPEPNGYLHIGHVKAICLNFGVAEEFNGLCNLRFDDTNPDAEEQEYVDGIANDVKWLGFSWNGEPRYASGYFDQLYAWAIQLIEQGDAYVDLQSPEEIKLNRGSFVEPGKNSPYRDASVEENLARFEKMRNGELKEGEAVLRAKIDMASPNVHMRDPILYRVLHSEHHQTGDKWKIYPMYDYAHPLSDAIEGITHSLCTLEFQDHRPFYDWIVEKVKPKAVPHQYESSRLNVDYTITSKRKLRKLVEGGYVNGWDDPRMPTVVGMRRRGFTPEGLRDFCKRVGVSKTDGIVDVAMLEFCIRQSLENTAARGMAVLNPLKVTLTNLPEDLDLTHARHPNVDMGERVIPLTKEIYIDRKDFEEVPPKGFKRLIPDGEVRLRHAYVIKCDEVIKDANGEVVELKCSIDPDTLGKNPEGRKVKGVIHWVSATKGIPAEVRIYDRLFTEADPETGDDFLANLNPDSLKVVQAVIEPALAQAKPEDRFQFEREGYFVADQYDHTPEKPVFNRVLDLKDSFKPEKK
Consensus [pKd Mean = 6.54]	-	1052 (s=124)	15 (s=3)	MKPNDVVSNLLNNPTPNTHASVDSAQQEQQAGLDFVRQVITDDLAAGRAKQIVTRFPPEPNGYLHIGHVKAICLNFGVAEEFNGLCNLRFDDTNPDAEEQEYVDGIANDVKWLGFSWNGEPRYASGYFDQLYAWAIQLIEQGDAYVDLQSPEEIKLNRGSFVEPGKNSPYRDASVEENLARFEKMRNGELKEGEAVLRAKIDMASPNVHMRDPILYRVLHSEHHQTGDKWKIYPMYDYAHPLSDAIEGITHSLCTLEFQDHRPFYDWIVEKVKPKAVPHQYESSRLNVDYTITSKRKLRKLVEGGYVNGWDDPRMPTVVGMRRRGFTPEGLRDFCKRVGVSKTDGIVDVAMLEFCIRQSLENTAARGMAVLNPLKVTLTNLPEDLDLTHARHPNVDMGERVIPLTKEIYIDRKDFEEVPPKGFKRLIPDGEVRLRHAYVIKCDEVIKDANGEVVELKCSIDPDTLGKNPEGRKVKGVIHWVSATKGIPAEVRIYDRLFTEADPETGDDFLANLNPDSLKVVQAVIEPALAQAKPEDRFQFEREGYFVADQYDHTPEKPVFNRVLDLKDSFKPEKK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ARG	55	CD	1	5	1[O],
ARG	55	NE	3	5	1[C], 2[O],
ARG	55	O	1	5	1[O],
ARG	55	CZ	11	5	2[C], 8[O], 1[N],
PHE	56	CG	14	5	5[O], 9[C],
PHE	56	CE2	13	5	4[O], 9[C],
PHE	56	C	3	5	3[C],
PHE	56	CE1	45	5	24[C], 17[O], 4[N],
PHE	56	CD2	1	5	1[O],
PHE	56	CD1	32	5	10[O], 22[C],
PHE	56	CA	1	5	1[O],
PHE	56	CZ	27	5	13[O], 14[C],
PRO	57	N	25	5	16[C], 9[O],
PRO	57	CB	27	5	3[N], 17[C], 7[O],
PRO	57	C	54	5	3[P], 4[N], 2[S], 22[C], 23[O],
PRO	57	O	60	5	3[P], 25[C], 2[S], 26[O], 4[N],
PRO	57	CD	39	5	15[O], 23[C], 1[N],
PRO	57	CA	27	5	8[O], 16[C], 3[N],
PRO	57	CG	44	5	13[O], 27[C], 4[N],
PRO	58	O	19	5	3[P], 3[N], 1[S], 5[C], 7[O],
PRO	58	N	48	5	3[P], 4[N], 19[O], 2[S], 20[C],
PRO	58	CG	16	5	8[O], 6[C], 1[S], 1[N],
PRO	58	CD	20	5	1[N], 10[C], 9[O],
PRO	58	CA	54	5	4[N], 2[S], 20[C], 25[O], 3[P],
PRO	58	C	37	5	12[C], 2[S], 16[O], 4[N], 3[P],
PRO	58	CB	37	5	3[P], 19[O], 11[C], 2[S], 2[N],
GLU	59	CA	25	5	3[P], 4[N], 12[O], 2[S], 4[C],
GLU	59	CG	12	5	1[P], 7[O], 4[N],
GLU	59	CB	27	5	4[C], 2[S], 14[O], 4[N], 3[P],
GLU	59	CD	5	5	4[O], 1[N],
GLU	59	OE1	17	5	1[C], 1[S], 11[O], 2[N], 2[P],
GLU	59	C	14	5	2[N], 2[S], 7[O], 3[P],
GLU	59	N	38	5	3[P], 4[N], 2[S], 11[C], 18[O],
GLU	59	O	19	5	3[P], 2[N], 2[S], 12[O],
PRO	60	N	5	5	5[O],
ASN	61	N	2	5	2[O],
ASN	61	CG	13	5	2[P], 11[O],
ASN	61	CB	1	5	1[O],
ASN	61	O	1	5	1[O],
ASN	61	ND2	11	5	9[O], 2[P],
ASN	61	OD1	23	5	5[P], 2[S], 16[O],
ASN	61	CA	1	5	1[O],
ASN	61	C	1	5	1[O],
LEU	64	CD1	4	5	4[O],
HIS	65	NE2	38	5	1[P], 2[O], 19[C], 16[N],
HIS	65	CD2	12	5	1[O], 3[C], 8[N],
HIS	65	ND1	33	5	14[N], 19[C],
HIS	65	CG	10	5	1[C], 9[N],
HIS	65	CE1	47	5	23[N], 1[O], 23[C],
ILE	66	O	5	5	1[C], 4[N],
ILE	66	C	4	5	1[C], 3[N],
GLY	67	CA	49	5	25[N], 24[C],
GLY	67	N	29	5	14[N], 15[C],
GLY	67	O	58	5	4[O], 30[C], 24[N],
GLY	67	C	59	5	30[C], 4[O], 25[N],
HIS	68	ND1	45	5	9[N], 17[C], 17[O], 2[P],
HIS	68	NE2	85	5	39[C], 2[S], 27[O], 13[N], 4[P],
HIS	68	CA	57	5	20[N], 32[C], 5[O],
HIS	68	CB	41	5	10[N], 25[C], 6[O],
HIS	68	O	21	5	5[O], 9[C], 7[N],
HIS	68	N	60	5	25[N], 5[O], 30[C],
HIS	68	CD2	92	5	16[N], 2[S], 45[C], 25[O], 4[P],
HIS	68	CE1	64	5	4[P], 24[O], 24[C], 2[S], 10[N],
HIS	68	C	28	5	10[N], 5[O], 13[C],
HIS	68	CG	64	5	11[N], 1[S], 32[C], 17[O], 3[P],
VAL	69	N	2	5	1[C], 1[N],
LYS	70	CE	13	5	8[N], 5[C],
LYS	70	CA	13	5	8[N], 5[C],
LYS	70	NZ	9	5	5[C], 4[N],
LYS	70	CB	19	5	10[N], 9[C],
LYS	70	CG	15	5	10[N], 5[C],
LYS	70	CD	20	5	10[C], 10[N],
LYS	70	C	10	5	5[N], 5[C],
LYS	70	N	12	5	5[C], 7[N],
ALA	71	CB	65	5	12[N], 41[C], 12[O],
ALA	71	O	2	5	2[O],
ALA	71	C	6	5	2[O], 2[C], 2[N],
ALA	71	CA	36	5	8[O], 18[C], 10[N],
ALA	71	N	35	5	15[C], 5[O], 15[N],
ASN	75	ND2	5	5	5[O],
ASP	91	CG	7	5	2[N], 5[C],
ASP	91	C	2	5	2[N],
ASP	91	CA	2	5	2[N],
ASP	91	O	2	5	2[N],
ASP	91	CB	10	5	4[N], 1[O], 5[C],
ASP	91	OD1	2	5	2[N],
ASP	91	N	2	5	2[N],
ASP	91	OD2	16	5	4[N], 2[O], 10[C],
TYR	236	CD1	14	5	3[N], 1[O], 10[C],
TYR	236	CB	1	5	1[N],
TYR	236	CD2	3	5	3[C],
TYR	236	CE2	10	5	1[N], 8[C], 1[O],
TYR	236	CG	7	5	5[C], 2[N],
TYR	236	CE1	17	5	10[C], 4[O], 3[N],
TYR	236	CZ	14	5	3[O], 8[C], 3[N],
HIS	240	CE1	16	5	8[C], 5[O], 3[N],
HIS	240	CD2	10	5	6[C], 3[O], 1[N],
HIS	240	NE2	10	5	1[N], 6[C], 3[O],
HIS	240	ND1	14	5	3[N], 3[O], 8[C],
HIS	240	CB	4	5	1[N], 1[O], 2[C],
HIS	240	CG	9	5	2[O], 6[C], 1[N],
SER	252	OG	6	5	3[O], 2[C], 1[N],
SER	252	CB	1	5	1[N],
LEU	253	N	1	5	1[O],
LEU	253	O	25	5	1[N], 13[O], 11[C],
LEU	253	C	16	5	3[C], 12[O], 1[N],
LEU	253	CA	1	5	1[O],
CYS	254	CA	29	5	1[N], 15[C], 13[O],
CYS	254	O	5	5	1[C], 4[O],
CYS	254	CB	30	5	1[N], 13[O], 16[C],
CYS	254	N	16	5	1[N], 12[O], 3[C],
CYS	254	C	24	5	13[O], 11[C],
CYS	254	SG	15	5	1[N], 7[O], 7[C],
THR	255	O	2	5	2[O],
THR	255	N	35	5	5[N], 17[C], 13[O],
THR	255	CA	14	5	4[N], 6[C], 4[O],
THR	255	CG2	72	5	25[N], 8[O], 39[C],
THR	255	OG1	67	5	15[N], 37[C], 15[O],
THR	255	CB	58	5	17[N], 35[C], 6[O],
THR	255	C	2	5	2[O],
GLU	257	CD	1	5	1[O],
GLU	257	OE1	2	5	2[O],
GLU	257	OE2	9	5	3[O], 3[C], 3[N],
PHE	258	CE2	35	5	13[O], 20[C], 2[N],
PHE	258	CB	6	5	1[N], 3[C], 2[O],
PHE	258	CD1	10	5	3[O], 6[C], 1[N],
PHE	258	CZ	30	5	11[O], 14[C], 5[N],
PHE	258	CD2	22	5	1[N], 11[O], 10[C],
PHE	258	CE1	17	5	2[N], 10[C], 5[O],
PHE	258	CG	11	5	5[O], 5[C], 1[N],
GLN	280	CD	1	5	1[N],
GLN	280	NE2	1	5	1[N],
GLN	280	OE1	3	5	1[N], 1[O], 1[C],
SER	284	C	10	5	4[C], 6[N],
SER	284	O	15	5	9[N], 6[C],
ARG	285	CG	32	5	17[C], 15[N],
ARG	285	CZ	51	5	2[O], 24[C], 24[N], 1[P],
ARG	285	NE	45	5	20[N], 25[C],
ARG	285	CD	32	5	15[N], 17[C],
ARG	285	CA	36	5	16[N], 20[C],
ARG	285	N	22	5	9[C], 13[N],
ARG	285	O	20	5	10[C], 10[N],
ARG	285	C	31	5	15[N], 16[C],
ARG	285	CB	47	5	23[C], 24[N],
LEU	286	CG	17	5	8[C], 9[N],
LEU	286	N	35	5	20[C], 15[N],
LEU	286	C	20	5	10[C], 10[N],
LEU	286	CB	28	5	14[C], 14[N],
LEU	286	CA	22	5	11[N], 11[C],
LEU	286	CD2	12	5	9[N], 3[C],
LEU	286	O	25	5	15[C], 10[N],
ASN	287	CA	3	5	3[N],
ASN	287	OD1	4	5	4[N],
ASN	287	N	8	5	8[N],
THR	293	C	5	5	1[O], 4[N],
THR	293	CB	11	5	6[N], 5[C],
THR	293	O	13	5	4[C], 2[O], 7[N],
THR	293	OG1	10	5	5[C], 5[N],
THR	293	CG2	7	5	2[C], 5[N],
THR	293	CA	5	5	5[N],
SER	294	O	1	5	1[O],
SER	294	N	1	5	1[O],
SER	294	CB	1	5	1[O],
SER	294	OG	1	5	1[O],
SER	294	C	2	5	1[O], 1[P],
SER	294	CA	1	5	1[O],
LYS	295	CA	4	5	3[O], 1[P],
LYS	295	CG	16	5	2[P], 14[O],
LYS	295	C	4	5	1[P], 3[O],
LYS	295	CD	21	5	1[S], 15[O], 5[P],
LYS	295	CE	32	5	1[N], 1[C], 2[S], 23[O], 5[P],
LYS	295	NZ	39	5	7[C], 2[S], 23[O], 2[N], 5[P],
LYS	295	N	6	5	1[P], 5[O],
LYS	295	CB	7	5	1[P], 6[O],
ARG	296	N	3	5	2[O], 1[P],
Total = 175


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