Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
Binding Site Number :C1_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 C1_S1
Complex: NDP_A_3(2GN4) / Model_1(2GN4/A) = [11.5]	Download	1573.15	15.00	MNKKLTDYVIDLVEILNKQQKQVFWGIFDIFSMVVSIIVSYILFYGLINPAPVDYIIYTSLAFLFYQLMIGFWGLNASISRYSKITDFMKIFFGVTASSVLSYSICYAFLPLFSIRFIILFILLSTFLILLPRITWQLIYSRRKKGSGDGEHRRTFLIGAGDGGALFMDSYQHPTSELELVGILDKDSKKKGQKLGGIPVLGSYDNLPELAKRHQIERVIVAIPSLDPSEYERILQMCNKLGVKCYKMPKVETVVQGLHQAGTGFQKIDITDLLGRQEIRLDESRLGAELTGKTILVTGAGGSIGSEICRQVSRFNPERIVLLGHGENSIYLVYHELIRKFQGIDYVPVIADIQDYDRLLQVFEQYKPAIVYHAAAHKHVPMMERNPKEAFKNNIRGTYNVAKAVDEAKVSKMVMISTDKAVNPPNVMGATKRVAELIVTGFNQRSQSTYCAVRFGNVLGSRGSVIPVFERQIAEGGPVTVTDFRMTRYFMTIPEASRLVIHAGAYAKDGEVFILDMGKPVKIYDLAKKMVLLSGHTESEIPIVEVGIRPGEKLYEELLVSTELVDNQVMDKIFVGKVNVMPLESINQKIREFRTLSGDELKQAIIAFANQTTHIE
Complex: NAP_A_7(2GN9) / Model_4(2GN9/A) = [11.0]	Download	1880.39	11.86	MNKKLTDYVIDLVEILNKQQKQVFWGIFDIFSMVVSIIVSYILFYGLINPAPVDYIIYTSLAFLFYQLMIGFWGLNASISRYSKITDFMKIFFGVTASSVLSYSICYAFLPLFSIRFIILFILLSTFLILLPRITWQLIYSRRKKGSGDGEHRRTFLIGAGDGGALFMDSYQHPTSELELVGILDKDSKKKGQKLGGIPVLGSYDNLPELAKRHQIERVIVAIPSLDPSEYERILQMCNKLGVKCYKMPKVETVVQGLHQAGTGFQKIDITDLLGRQEIRLDESRLGAELTGKTILVTGAGGSIGSEICRQVSRFNPERIVLLGHGENSIYLVYHELIRKFQGIDYVPVIADIQDYDRLLQVFEQYKPAIVYHAAAHKHVPMMERNPKEAFKNNIRGTYNVAKAVDEAKVSKMVMISTDKAVNPPNVMGATKRVAELIVTGFNQRSQSTYCAVRFGNVLGSRGSVIPVFERQIAEGGPVTVTDFRMTRYFMTIPEASRLVIHAGAYAKDGEVFILDMGKPVKIYDLAKKMVLLSGHTESEIPIVEVGIRPGEKLYEELLVSTELVDNQVMDKIFVGKVNVMPLESINQKIREFRTLSGDELKQAIIAFANQTTHIE
Complex: UD1_A_4(2GN4) / Model_1(2GN4/A) = [8.0]	Download	1071.78	24.15	MNKKLTDYVIDLVEILNKQQKQVFWGIFDIFSMVVSIIVSYILFYGLINPAPVDYIIYTSLAFLFYQLMIGFWGLNASISRYSKITDFMKIFFGVTASSVLSYSICYAFLPLFSIRFIILFILLSTFLILLPRITWQLIYSRRKKGSGDGEHRRTFLIGAGDGGALFMDSYQHPTSELELVGILDKDSKKKGQKLGGIPVLGSYDNLPELAKRHQIERVIVAIPSLDPSEYERILQMCNKLGVKCYKMPKVETVVQGLHQAGTGFQKIDITDLLGRQEIRLDESRLGAELTGKTILVTGAGGSIGSEICRQVSRFNPERIVLLGHGENSIYLVYHELIRKFQGIDYVPVIADIQDYDRLLQVFEQYKPAIVYHAAAHKHVPMMERNPKEAFKNNIRGTYNVAKAVDEAKVSKMVMISTDKAVNPPNVMGATKRVAELIVTGFNQRSQSTYCAVRFGNVLGSRGSVIPVFERQIAEGGPVTVTDFRMTRYFMTIPEASRLVIHAGAYAKDGEVFILDMGKPVKIYDLAKKMVLLSGHTESEIPIVEVGIRPGEKLYEELLVSTELVDNQVMDKIFVGKVNVMPLESINQKIREFRTLSGDELKQAIIAFANQTTHIE
Complex: UDZ_A_11(3W1V) / Model_40(3W1V/A) = [6.6]	Download	1522.72	36.08	MNKKLTDYVIDLVEILNKQQKQVFWGIFDIFSMVVSIIVSYILFYGLINPAPVDYIIYTSLAFLFYQLMIGFWGLNASISRYSKITDFMKIFFGVTASSVLSYSICYAFLPLFSIRFIILFILLSTFLILLPRITWQLIYSRRKKGSGDGEHRRTFLIGAGDGGALFMDSYQHPTSELELVGILDKDSKKKGQKLGGIPVLGSYDNLPELAKRHQIERVIVAIPSLDPSEYERILQMCNKLGVKCYKMPKVETVVQGLHQAGTGFQKIDITDLLGRQEIRLDESRLGAELTGKTILVTGAGGSIGSEICRQVSRFNPERIVLLGHGENSIYLVYHELIRKFQGIDYVPVIADIQDYDRLLQVFEQYKPAIVYHAAAHKHVPMMERNPKEAFKNNIRGTYNVAKAVDEAKVSKMVMISTDKAVNPPNVMGATKRVAELIVTGFNQRSQSTYCAVRFGNVLGSRGSVIPVFERQIAEGGPVTVTDFRMTRYFMTIPEASRLVIHAGAYAKDGEVFILDMGKPVKIYDLAKKMVLLSGHTESEIPIVEVGIRPGEKLYEELLVSTELVDNQVMDKIFVGKVNVMPLESINQKIREFRTLSGDELKQAIIAFANQTTHIE
Complex: UPG_A_10(2GN9) / Model_4(2GN9/A) = [5.7]	Download	1435.84	20.73	MNKKLTDYVIDLVEILNKQQKQVFWGIFDIFSMVVSIIVSYILFYGLINPAPVDYIIYTSLAFLFYQLMIGFWGLNASISRYSKITDFMKIFFGVTASSVLSYSICYAFLPLFSIRFIILFILLSTFLILLPRITWQLIYSRRKKGSGDGEHRRTFLIGAGDGGALFMDSYQHPTSELELVGILDKDSKKKGQKLGGIPVLGSYDNLPELAKRHQIERVIVAIPSLDPSEYERILQMCNKLGVKCYKMPKVETVVQGLHQAGTGFQKIDITDLLGRQEIRLDESRLGAELTGKTILVTGAGGSIGSEICRQVSRFNPERIVLLGHGENSIYLVYHELIRKFQGIDYVPVIADIQDYDRLLQVFEQYKPAIVYHAAAHKHVPMMERNPKEAFKNNIRGTYNVAKAVDEAKVSKMVMISTDKAVNPPNVMGATKRVAELIVTGFNQRSQSTYCAVRFGNVLGSRGSVIPVFERQIAEGGPVTVTDFRMTRYFMTIPEASRLVIHAGAYAKDGEVFILDMGKPVKIYDLAKKMVLLSGHTESEIPIVEVGIRPGEKLYEELLVSTELVDNQVMDKIFVGKVNVMPLESINQKIREFRTLSGDELKQAIIAFANQTTHIE
Consensus [pKd Mean = 8.56]	-	1496 (s=260)	21 (s=8)	MNKKLTDYVIDLVEILNKQQKQVFWGIFDIFSMVVSIIVSYILFYGLINPAPVDYIIYTSLAFLFYQLMIGFWGLNASISRYSKITDFMKIFFGVTASSVLSYSICYAFLPLFSIRFIILFILLSTFLILLPRITWQLIYSRRKKGSGDGEHRRTFLIGAGDGGALFMDSYQHPTSELELVGILDKDSKKKGQKLGGIPVLGSYDNLPELAKRHQIERVIVAIPSLDPSEYERILQMCNKLGVKCYKMPKVETVVQGLHQAGTGFQKIDITDLLGRQEIRLDESRLGAELTGKTILVTGAGGSIGSEICRQVSRFNPERIVLLGHGENSIYLVYHELIRKFQGIDYVPVIADIQDYDRLLQVFEQYKPAIVYHAAAHKHVPMMERNPKEAFKNNIRGTYNVAKAVDEAKVSKMVMISTDKAVNPPNVMGATKRVAELIVTGFNQRSQSTYCAVRFGNVLGSRGSVIPVFERQIAEGGPVTVTDFRMTRYFMTIPEASRLVIHAGAYAKDGEVFILDMGKPVKIYDLAKKMVLLSGHTESEIPIVEVGIRPGEKLYEELLVSTELVDNQVMDKIFVGKVNVMPLESINQKIREFRTLSGDELKQAIIAFANQTTHIE

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
VAL	297	CG1	1	8	1[C],
THR	298	CG2	8	8	4[N], 4[C],
THR	298	OG1	23	8	6[N], 4[O], 13[C],
SER	303	OG	37	8	10[C], 4[P], 19[O], 4[N],
ILE	304	CG2	35	8	4[N], 14[O], 2[P], 15[C],
ILE	304	CG1	53	8	24[C], 21[O], 4[N], 4[P],
ILE	304	CD1	49	8	4[P], 4[N], 18[O], 23[C],
SER	306	OG	5	8	5[O],
ILE	308	CD1	8	8	4[O], 4[C],
ILE	308	CG1	2	8	2[O],
LEU	323	CD1	6	8	4[N], 2[C],
LEU	323	CD2	6	8	2[C], 4[N],
LEU	323	CG	10	8	6[C], 4[N],
HIS	325	CD2	27	8	9[N], 8[O], 2[P], 8[C],
HIS	325	NE2	10	8	1[N], 6[O], 2[P], 1[C],
HIS	325	CE1	13	8	2[P], 5[O], 4[N], 2[C],
HIS	325	CG	34	8	14[C], 2[P], 10[N], 8[O],
HIS	325	ND1	24	8	6[O], 8[N], 2[P], 8[C],
VAL	333	CG1	17	8	10[O], 2[P], 5[C],
VAL	333	CG2	16	8	4[C], 10[O], 2[P],
TYR	334	CD2	10	8	8[O], 2[P],
TYR	334	CZ	29	8	2[P], 6[N], 11[O], 10[C],
TYR	334	CD1	13	8	1[C], 2[P], 10[O],
TYR	334	CE1	26	8	2[P], 4[N], 10[O], 10[C],
TYR	334	CE2	20	8	2[P], 9[O], 2[N], 7[C],
TYR	334	CG	9	8	7[O], 2[P],
LEU	337	CD1	7	8	1[C], 6[O],
LEU	337	CG	1	8	1[O],
ILE	350	CD1	2	8	2[O],
ILE	350	CG2	1	8	1[O],
ASP	352	OD2	22	8	2[O], 10[N], 10[C],
ASP	352	CG	22	8	2[O], 10[N], 10[C],
ASP	352	OD1	22	8	10[C], 10[N], 2[O],
ILE	353	CG2	26	8	12[C], 4[O], 10[N],
ILE	353	CG1	25	8	12[C], 3[O], 10[N],
ILE	353	CD1	24	8	10[N], 2[O], 12[C],
GLN	354	CD	12	8	6[N], 6[C],
GLN	354	CG	12	8	6[C], 6[N],
GLN	354	NE2	11	8	5[C], 6[N],
GLN	354	OE1	8	8	4[N], 4[C],
LEU	359	CG	4	8	2[C], 2[N],
LEU	359	CD1	4	8	2[C], 2[N],
LEU	359	CD2	4	8	2[N], 2[C],
HIS	373	CE1	13	8	3[O], 4[N], 6[C],
HIS	373	CD2	7	8	3[C], 2[O], 2[N],
HIS	373	NE2	12	8	3[N], 3[O], 6[C],
HIS	373	CG	3	8	1[C], 2[O],
HIS	373	ND1	8	8	4[C], 2[N], 2[O],
HIS	377	CG	21	8	11[C], 2[O], 8[N],
HIS	377	NE2	33	8	14[C], 2[P], 7[O], 10[N],
HIS	377	CE1	18	8	9[C], 8[N], 1[O],
HIS	377	ND1	14	8	8[C], 6[N],
HIS	377	CD2	43	8	11[O], 10[N], 2[P], 20[C],
LYS	378	CE	120	8	55[C], 51[O], 8[N], 6[P],
LYS	378	NZ	120	8	8[N], 50[O], 5[P], 57[C],
LYS	378	CG	113	8	4[P], 7[N], 48[O], 54[C],
LYS	378	CD	119	8	5[P], 8[N], 51[O], 55[C],
HIS	379	CE1	54	8	25[C], 6[N], 22[O], 1[P],
HIS	379	ND1	58	8	26[O], 6[N], 26[C],
HIS	379	CD2	44	8	1[P], 17[O], 3[N], 23[C],
HIS	379	NE2	44	8	20[C], 4[N], 19[O], 1[P],
HIS	379	CG	59	8	29[C], 6[N], 24[O],
VAL	380	CG2	96	8	8[P], 3[N], 49[O], 36[C],
VAL	380	CG1	61	8	21[C], 5[P], 32[O], 3[N],
PRO	381	CG	39	8	2[P], 2[N], 18[O], 17[C],
PRO	381	CD	65	8	23[C], 7[P], 32[O], 3[N],
MET	382	CG	4	8	3[O], 1[C],
MET	383	CG	8	8	7[O], 1[C],
MET	383	SD	2	8	1[C], 1[O],
GLU	389	OE1	2	8	2[N],
ASN	393	CG	28	8	14[C], 4[O], 10[N],
ASN	393	ND2	38	8	20[C], 7[O], 10[N], 1[P],
ASN	393	OD1	32	8	10[N], 5[O], 17[C],
ASN	394	ND2	8	8	4[C], 4[O],
ASN	394	CG	10	8	4[C], 2[N], 4[O],
ASN	394	OD1	24	8	12[C], 6[N], 6[O],
VAL	401	CG2	1	8	1[C],
MET	415	CG	2	8	2[O],
MET	415	SD	14	8	8[C], 6[O],
MET	415	CE	1	8	1[O],
ILE	416	CD1	37	8	2[N], 14[O], 2[P], 19[C],
ILE	416	CG2	41	8	4[N], 13[O], 2[P], 22[C],
ILE	416	CG1	32	8	18[C], 10[O], 2[N], 2[P],
SER	417	OG	10	8	2[N], 2[O], 6[C],
THR	418	OG1	66	8	5[N], 23[O], 2[P], 36[C],
THR	418	CG2	41	8	24[C], 15[O], 2[N],
ASP	419	OD1	34	8	14[C], 16[O], 4[P],
ASP	419	CG	26	8	14[C], 11[O], 1[P],
ASP	419	OD2	35	8	19[C], 1[N], 14[O], 1[P],
LYS	420	CD	95	8	3[N], 45[O], 7[P], 40[C],
LYS	420	CG	71	8	5[P], 36[O], 2[N], 28[C],
LYS	420	NZ	151	8	65[C], 70[O], 4[N], 12[P],
LYS	420	CE	142	8	12[P], 5[N], 67[O], 58[C],
ASN	426	CG	6	8	5[O], 1[C],
ASN	426	OD1	8	8	7[O], 1[C],
ASN	426	ND2	30	8	2[N], 20[O], 4[P], 4[C],
MET	428	CE	83	8	38[C], 36[O], 5[N], 4[P],
MET	428	CG	35	8	1[N], 16[O], 18[C],
MET	428	SD	53	8	3[N], 22[O], 1[P], 27[C],
THR	431	OG1	2	8	2[O],
LYS	432	CG	21	8	2[N], 8[O], 11[C],
LYS	432	NZ	30	8	18[C], 10[O], 2[N],
LYS	432	CD	26	8	14[C], 10[O], 2[N],
LYS	432	CE	34	8	20[C], 12[O], 2[N],
VAL	453	CG1	4	8	4[C],
ARG	454	CG	4	8	4[C],
PHE	455	CD1	29	8	18[C], 7[O], 4[N],
PHE	455	CG	22	8	3[N], 4[O], 15[C],
PHE	455	CE2	37	8	23[C], 10[O], 4[N],
PHE	455	CE1	43	8	27[C], 1[P], 11[O], 4[N],
PHE	455	CZ	45	8	4[N], 14[O], 2[P], 25[C],
PHE	455	CD2	24	8	18[C], 3[O], 3[N],
ASN	457	OD1	149	8	60[C], 12[P], 6[N], 71[O],
ASN	457	CG	148	8	59[C], 12[P], 70[O], 7[N],
ASN	457	ND2	156	8	64[C], 72[O], 8[N], 12[P],
VAL	458	CG2	55	8	5[N], 19[O], 2[P], 29[C],
VAL	458	CG1	25	8	11[C], 2[P], 8[O], 4[N],
LEU	459	CD1	1	8	1[O],
SER	461	OG	108	8	43[C], 8[P], 49[O], 8[N],
ARG	462	CG	29	8	4[P], 3[N], 16[O], 6[C],
ARG	462	NE	40	8	6[P], 24[O], 10[C],
ARG	462	CZ	48	8	13[C], 27[O], 2[N], 6[P],
ARG	462	CD	33	8	8[C], 4[P], 20[O], 1[N],
SER	464	OG	89	8	28[C], 45[O], 6[N], 10[P],
VAL	465	CG2	146	8	57[C], 12[N], 67[O], 10[P],
VAL	465	CG1	145	8	55[C], 67[O], 12[N], 11[P],
ILE	466	CD1	11	8	3[C], 8[O],
ILE	466	CG1	16	8	4[C], 1[P], 11[O],
PRO	467	CG	9	8	8[O], 1[N],
PRO	467	CD	14	8	3[P], 10[O], 1[N],
VAL	468	CG2	63	8	5[P], 25[O], 11[N], 22[C],
VAL	468	CG1	46	8	15[O], 9[N], 22[C],
PHE	469	CE1	81	8	44[C], 1[P], 12[N], 24[O],
PHE	469	CD2	52	8	24[C], 12[N], 16[O],
PHE	469	CE2	66	8	36[C], 12[N], 18[O],
PHE	469	CZ	86	8	48[C], 12[N], 26[O],
PHE	469	CD1	63	8	21[O], 12[N], 30[C],
PHE	469	CG	53	8	18[O], 12[N], 23[C],
GLN	472	CG	6	8	5[O], 1[C],
GLN	472	OE1	25	8	11[C], 6[N], 8[O],
GLN	472	NE2	31	8	8[O], 7[N], 16[C],
GLN	472	CD	22	8	6[O], 6[N], 10[C],
VAL	479	CG1	36	8	13[C], 11[N], 12[O],
THR	480	CG2	54	8	29[C], 10[N], 15[O],
THR	480	OG1	49	8	25[C], 12[N], 12[O],
VAL	481	CG2	40	8	12[O], 11[N], 17[C],
VAL	481	CG1	58	8	25[C], 12[N], 21[O],
THR	482	OG1	106	8	40[O], 12[N], 54[C],
THR	482	CG2	112	8	54[C], 2[P], 44[O], 12[N],
ASP	483	CG	7	8	7[O],
ASP	483	OD2	4	8	4[O],
MET	486	CG	78	8	8[N], 31[O], 1[P], 38[C],
MET	486	SD	85	8	1[P], 37[O], 8[N], 39[C],
MET	486	CE	84	8	42[C], 7[N], 34[O], 1[P],
THR	487	OG1	4	8	4[O],
ARG	488	CZ	113	8	39[C], 6[N], 56[O], 12[P],
ARG	488	NE	131	8	66[O], 6[N], 12[P], 47[C],
ARG	488	CG	110	8	12[P], 58[O], 5[N], 35[C],
ARG	488	CD	113	8	62[O], 12[P], 39[C],
TYR	489	CE1	1	8	1[O],
TYR	489	CG	1	8	1[O],
TYR	489	CD1	2	8	1[O], 1[C],
PHE	490	CD2	9	8	6[C], 3[O],
PHE	490	CE2	27	8	9[C], 2[P], 16[O],
PHE	490	CE1	8	8	2[O], 6[C],
PHE	490	CZ	22	8	10[C], 12[O],
MET	491	SD	1	8	1[C],
ILE	493	CG2	1	8	1[O],
ILE	493	CG1	7	8	4[O], 2[N], 1[P],
ILE	493	CD1	7	8	1[P], 5[O], 1[N],
MET	517	CE	4	8	4[C],
MET	517	SD	1	8	1[O],
VAL	521	CG2	4	8	2[C], 2[O],
ILE	523	CG1	98	8	32[O], 12[N], 2[P], 52[C],
ILE	523	CD1	117	8	53[C], 47[O], 12[N], 5[P],
ILE	523	CG2	82	8	29[O], 11[N], 42[C],
LEU	526	CG	26	8	10[O], 16[C],
LEU	526	CD1	4	8	3[O], 1[C],
LEU	526	CD2	75	8	35[C], 7[N], 31[O], 2[P],
VAL	546	CG2	38	8	11[O], 7[N], 20[C],
VAL	546	CG1	18	8	6[O], 4[N], 8[C],
ILE	548	CG2	7	8	4[O], 3[C],
ILE	548	CG1	5	8	4[O], 1[C],
ILE	548	CD1	2	8	2[O],
ARG	549	CG	71	8	8[N], 29[O], 5[P], 29[C],
ARG	549	CZ	118	8	49[C], 8[P], 9[N], 52[O],
ARG	549	CD	93	8	8[N], 41[O], 7[P], 37[C],
ARG	549	NE	106	8	41[C], 8[P], 8[N], 49[O],
GLU	552	OE1	100	8	7[P], 47[O], 8[N], 38[C],
GLU	552	CD	91	8	36[C], 7[P], 8[N], 40[O],
GLU	552	CG	70	8	7[P], 33[O], 4[N], 26[C],
GLU	552	OE2	84	8	36[C], 34[O], 8[N], 6[P],
LEU	554	CG	2	8	2[O],
LEU	554	CD2	8	8	8[O],
GLU	556	OE2	53	8	23[C], 26[O], 4[P],
GLU	556	OE1	19	8	3[P], 12[O], 4[C],
GLU	556	CD	34	8	11[C], 3[P], 20[O],
GLU	556	CG	31	8	10[C], 3[P], 18[O],
LEU	558	CD2	2	8	1[O], 1[C],
LEU	558	CG	1	8	1[O],
Total = 200


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