Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
Binding Site Number :C7_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 C7_S1
Complex: LAD_B_2(1E1T) / Model_8(1E1T/A) = [8.6]	Download	712.77	3.06	MTQEQQHQVEDLNDQMLVRRQKMEQLREDGIDPFGKRFERTHNSEELHELFDPRTKEELAEMGLTASVAGRMMTRRGKGKAGFAHLQDREGQIQIYVRKDQVGDEAYEVFKHADLGDFFGVTGQIMKTDTGEVSIKASEITILSKALRPLPDKYHGLTNIEQRYRQRYLDLISNRESFDRFMKRSQIISEIRRYLDGNGYIEVETPVLHNEAGGAAARPFITHHNALDIDLYLRIALELHLKRLIVGGMEKVYEIGRVFRNEGIDTTHNPEFTMLEAYTAYTDFNDVMNLTEGIIRNAAEKVLGTAKITYDGQAVDLESDFKRIHMVDAIKEQTGVDFWQEMTLEEALALAEKHNVEVTEAMGVGHVINEFFETFVEETLTQPTFVYGHPVEVSPLAKKNPEDPRFTDRFELFIVGREFANAFTELNDPIDQRERFEAQEKERELGNDEAHGVDEDFLEALEYGMPPTGGLGIGIDRLVMLLTDAQSIRDVLLFPTMR
Complex: ATP_A_3(1E24) / Model_10(1E24/A) = [7.0]	Download	1166.05	-8.97	MTQEQQHQVEDLNDQMLVRRQKMEQLREDGIDPFGKRFERTHNSEELHELFDPRTKEELAEMGLTASVAGRMMTRRGKGKAGFAHLQDREGQIQIYVRKDQVGDEAYEVFKHADLGDFFGVTGQIMKTDTGEVSIKASEITILSKALRPLPDKYHGLTNIEQRYRQRYLDLISNRESFDRFMKRSQIISEIRRYLDGNGYIEVETPVLHNEAGGAAARPFITHHNALDIDLYLRIALELHLKRLIVGGMEKVYEIGRVFRNEGIDTTHNPEFTMLEAYTAYTDFNDVMNLTEGIIRNAAEKVLGTAKITYDGQAVDLESDFKRIHMVDAIKEQTGVDFWQEMTLEEALALAEKHNVEVTEAMGVGHVINEFFETFVEETLTQPTFVYGHPVEVSPLAKKNPEDPRFTDRFELFIVGREFANAFTELNDPIDQRERFEAQEKERELGNDEAHGVDEDFLEALEYGMPPTGGLGIGIDRLVMLLTDAQSIRDVLLFPTMR
Complex: ACP_A_3(1E22) / Model_9(1E22/A) = [6.8]	Download	1227.63	-7.52	MTQEQQHQVEDLNDQMLVRRQKMEQLREDGIDPFGKRFERTHNSEELHELFDPRTKEELAEMGLTASVAGRMMTRRGKGKAGFAHLQDREGQIQIYVRKDQVGDEAYEVFKHADLGDFFGVTGQIMKTDTGEVSIKASEITILSKALRPLPDKYHGLTNIEQRYRQRYLDLISNRESFDRFMKRSQIISEIRRYLDGNGYIEVETPVLHNEAGGAAARPFITHHNALDIDLYLRIALELHLKRLIVGGMEKVYEIGRVFRNEGIDTTHNPEFTMLEAYTAYTDFNDVMNLTEGIIRNAAEKVLGTAKITYDGQAVDLESDFKRIHMVDAIKEQTGVDFWQEMTLEEALALAEKHNVEVTEAMGVGHVINEFFETFVEETLTQPTFVYGHPVEVSPLAKKNPEDPRFTDRFELFIVGREFANAFTELNDPIDQRERFEAQEKERELGNDEAHGVDEDFLEALEYGMPPTGGLGIGIDRLVMLLTDAQSIRDVLLFPTMR
Complex: ANP_A_2(4UPA) / Model_63(4UPA/A) = [6.0]	Download	1152.85	-8.35	MTQEQQHQVEDLNDQMLVRRQKMEQLREDGIDPFGKRFERTHNSEELHELFDPRTKEELAEMGLTASVAGRMMTRRGKGKAGFAHLQDREGQIQIYVRKDQVGDEAYEVFKHADLGDFFGVTGQIMKTDTGEVSIKASEITILSKALRPLPDKYHGLTNIEQRYRQRYLDLISNRESFDRFMKRSQIISEIRRYLDGNGYIEVETPVLHNEAGGAAARPFITHHNALDIDLYLRIALELHLKRLIVGGMEKVYEIGRVFRNEGIDTTHNPEFTMLEAYTAYTDFNDVMNLTEGIIRNAAEKVLGTAKITYDGQAVDLESDFKRIHMVDAIKEQTGVDFWQEMTLEEALALAEKHNVEVTEAMGVGHVINEFFETFVEETLTQPTFVYGHPVEVSPLAKKNPEDPRFTDRFELFIVGREFANAFTELNDPIDQRERFEAQEKERELGNDEAHGVDEDFLEALEYGMPPTGGLGIGIDRLVMLLTDAQSIRDVLLFPTMR
Consensus [pKd Mean = 7.10]	-	1064 (s=205)	-5 (s=4)	MTQEQQHQVEDLNDQMLVRRQKMEQLREDGIDPFGKRFERTHNSEELHELFDPRTKEELAEMGLTASVAGRMMTRRGKGKAGFAHLQDREGQIQIYVRKDQVGDEAYEVFKHADLGDFFGVTGQIMKTDTGEVSIKASEITILSKALRPLPDKYHGLTNIEQRYRQRYLDLISNRESFDRFMKRSQIISEIRRYLDGNGYIEVETPVLHNEAGGAAARPFITHHNALDIDLYLRIALELHLKRLIVGGMEKVYEIGRVFRNEGIDTTHNPEFTMLEAYTAYTDFNDVMNLTEGIIRNAAEKVLGTAKITYDGQAVDLESDFKRIHMVDAIKEQTGVDFWQEMTLEEALALAEKHNVEVTEAMGVGHVINEFFETFVEETLTQPTFVYGHPVEVSPLAKKNPEDPRFTDRFELFIVGREFANAFTELNDPIDQRERFEAQEKERELGNDEAHGVDEDFLEALEYGMPPTGGLGIGIDRLVMLLTDAQSIRDVLLFPTMR

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ILE	235	CD1	4	4	4[O],
ILE	235	CG2	3	4	1[O], 1[C], 1[N],
ILE	235	CG1	5	4	3[O], 1[C], 1[N],
GLU	238	OE1	12	4	2[N], 3[O], 6[C], 1[P],
GLU	238	CD	10	4	6[C], 2[O], 2[N],
GLU	238	OE2	10	4	2[N], 2[O], 6[C],
GLU	238	CG	9	4	1[O], 6[C], 2[N],
LEU	239	CD2	2	4	2[N],
LEU	239	CG	1	4	1[N],
LEU	241	CD1	2	4	1[C], 1[N],
LYS	242	CD	2	4	1[C], 1[N],
LYS	242	CG	2	4	1[C], 1[N],
LYS	242	NZ	5	4	2[N], 3[C],
LYS	242	CE	5	4	2[N], 3[C],
VAL	258	CG2	43	4	1[P], 10[N], 23[C], 9[O],
VAL	258	CG1	44	4	1[P], 11[N], 22[C], 10[O],
ARG	260	NE	100	4	22[N], 29[O], 42[C], 7[P],
ARG	260	CG	59	4	4[P], 16[O], 21[C], 18[N],
ARG	260	CZ	105	4	8[P], 33[O], 42[C], 22[N],
ARG	260	CD	96	4	7[P], 21[N], 30[O], 38[C],
GLU	262	CD	50	4	5[P], 17[N], 17[C], 11[O],
GLU	262	CG	29	4	10[N], 5[O], 14[C],
GLU	262	OE2	64	4	7[P], 22[O], 19[C], 16[N],
GLU	262	OE1	52	4	6[P], 15[N], 15[O], 16[C],
ILE	264	CG1	1	4	1[N],
ASP	265	OD1	8	4	2[N], 3[C], 2[O], 1[P],
ASP	265	OD2	7	4	1[N], 5[O], 1[P],
ASP	265	CG	2	4	1[O], 1[N],
THR	267	OG1	55	4	19[N], 21[C], 12[O], 3[P],
THR	267	CG2	27	4	5[O], 9[C], 11[N], 2[P],
HIS	268	CD2	91	4	28[O], 35[C], 21[N], 7[P],
HIS	268	CG	69	4	27[C], 15[O], 21[N], 6[P],
HIS	268	ND1	65	4	15[O], 23[C], 21[N], 6[P],
HIS	268	CE1	77	4	21[N], 22[O], 27[C], 7[P],
HIS	268	NE2	90	4	21[N], 35[C], 27[O], 7[P],
ASN	269	CG	18	4	8[C], 10[N],
ASN	269	OD1	16	4	8[C], 8[N],
ASN	269	ND2	16	4	8[C], 8[N],
PRO	270	CD	16	4	8[C], 8[N],
PRO	270	CG	12	4	8[N], 4[C],
PHE	272	CG	74	4	20[N], 40[C], 14[O],
PHE	272	CZ	100	4	20[N], 32[O], 42[C], 6[P],
PHE	272	CE1	89	4	20[N], 41[C], 23[O], 5[P],
PHE	272	CE2	98	4	30[O], 42[C], 20[N], 6[P],
PHE	272	CD2	83	4	20[O], 40[C], 20[N], 3[P],
PHE	272	CD1	73	4	13[O], 40[C], 20[N],
MET	274	CG	77	4	2[P], 23[O], 39[C], 13[N],
MET	274	CE	75	4	4[P], 10[N], 34[C], 27[O],
MET	274	SD	83	4	4[P], 13[N], 39[C], 27[O],
GLU	276	CG	19	4	5[O], 11[C], 2[N], 1[P],
GLU	276	CD	18	4	1[P], 10[C], 5[O], 2[N],
GLU	276	OE1	11	4	2[N], 2[O], 7[C],
GLU	276	OE2	25	4	2[P], 2[N], 10[O], 11[C],
TYR	278	CD1	6	4	4[C], 2[N],
TYR	278	CD2	5	4	4[C], 1[N],
TYR	278	CG	4	4	3[C], 1[N],
TYR	278	CE1	7	4	2[N], 5[C],
TYR	278	CE2	7	4	2[N], 5[C],
TYR	278	CZ	7	4	5[C], 2[N],
VAL	287	CG2	1	4	1[C],
VAL	287	CG1	1	4	1[C],
ASN	369	ND2	3	4	3[O],
PHE	372	CE2	1	4	1[O],
GLU	373	OE1	11	4	3[P], 8[O],
GLU	373	CD	14	4	10[O], 1[C], 3[P],
GLU	373	CG	9	4	2[P], 7[O],
GLU	373	OE2	16	4	4[P], 11[O], 1[C],
GLU	377	CD	14	4	4[P], 1[C], 9[O],
GLU	377	CG	7	4	2[P], 5[O],
GLU	377	OE1	13	4	1[C], 9[O], 3[P],
GLU	377	OE2	21	4	15[O], 2[C], 4[P],
LEU	396	CD1	9	4	2[N], 6[C], 1[O],
LEU	396	CG	5	4	3[C], 2[N],
LEU	396	CD2	1	4	1[N],
ARG	409	CZ	16	4	3[P], 9[O], 4[C],
ARG	409	CD	3	4	2[C], 1[N],
ARG	409	CG	3	4	2[C], 1[N],
ARG	409	NE	14	4	5[O], 6[C], 1[N], 2[P],
GLU	411	CG	26	4	5[P], 6[C], 15[O],
GLU	411	OE2	53	4	7[P], 17[C], 29[O],
GLU	411	OE1	34	4	21[O], 6[C], 7[P],
GLU	411	CD	41	4	7[P], 22[O], 12[C],
PHE	413	CE2	13	4	1[C], 10[O], 2[P],
PHE	413	CZ	10	4	1[P], 9[O],
PHE	413	CE1	1	4	1[O],
PHE	413	CG	1	4	1[O],
PHE	413	CD2	9	4	7[O], 2[P],
ARG	417	CD	2	4	2[O],
ARG	417	NE	1	4	1[O],
ARG	417	CG	2	4	2[O],
GLU	418	CG	61	4	32[O], 19[C], 3[N], 7[P],
GLU	418	CD	68	4	7[P], 6[N], 23[C], 32[O],
GLU	418	OE1	65	4	7[P], 20[C], 32[O], 6[N],
GLU	418	OE2	73	4	7[P], 6[N], 33[O], 27[C],
PHE	419	CG	12	4	6[C], 6[O],
PHE	419	CD1	16	4	9[C], 7[O],
PHE	419	CD2	3	4	3[O],
PHE	419	CZ	1	4	1[O],
PHE	419	CE1	7	4	3[C], 4[O],
ASN	421	ND2	47	4	5[P], 23[O], 17[C], 2[N],
ASN	421	CG	44	4	5[P], 2[N], 21[O], 16[C],
ASN	421	OD1	38	4	2[N], 15[C], 18[O], 3[P],
PHE	423	CE2	13	4	1[P], 2[N], 4[O], 6[C],
PHE	423	CZ	10	4	2[N], 2[O], 6[C],
PHE	423	CD2	9	4	1[O], 6[C], 2[N],
PHE	423	CE1	8	4	2[N], 6[C],
PHE	423	CG	7	4	2[N], 5[C],
PHE	423	CD1	7	4	5[C], 2[N],
GLU	425	CD	6	4	4[C], 2[N],
GLU	425	OE2	7	4	2[N], 5[C],
GLU	425	OE1	7	4	2[N], 5[C],
GLU	425	CG	4	4	1[N], 3[C],
GLU	437	OE2	1	4	1[O],
GLU	437	CD	1	4	1[O],
GLU	437	OE1	1	4	1[O],
GLU	449	OE2	2	4	2[O],
GLU	449	CD	2	4	2[O],
GLU	449	OE1	2	4	2[O],
THR	468	CG2	1	4	1[N],
LEU	471	CD1	6	4	1[N], 1[O], 4[C],
LEU	471	CG	5	4	1[N], 4[C],
LEU	471	CD2	2	4	2[C],
ILE	473	CG2	24	4	13[C], 11[O],
ILE	473	CG1	12	4	5[C], 7[O],
ASP	476	OD2	55	4	28[C], 8[O], 19[N],
ASP	476	CG	35	4	21[C], 1[O], 13[N],
ASP	476	OD1	16	4	8[C], 8[N],
ARG	477	NE	96	4	6[P], 39[C], 30[O], 21[N],
ARG	477	CG	77	4	19[N], 38[C], 17[O], 3[P],
ARG	477	CZ	110	4	9[P], 21[N], 39[O], 41[C],
ARG	477	CD	88	4	25[O], 39[C], 20[N], 4[P],
MET	480	SD	7	4	4[C], 3[N],
ILE	488	CD1	52	4	4[O], 28[C], 20[N],
ILE	488	CG2	20	4	12[N], 8[C],
ILE	488	CG1	28	4	16[C], 12[N],
LEU	492	CD2	3	4	3[N],
Total = 136


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