Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
Binding Site Number :C2_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 C2_S1
Complex: ATS_Y_4(1GLJ) / Model_12(1GLJ/Y) = [6.6]	Download	1293.56	13.89	MCVENERDIQMSNCPKKYIVAFDQGTTSSRAIVLDHDANVVSIAQREFTQIYPQPGWVEHDPMEIWATQSAVWVEALAQAGIKSEQVAAIGITNQRETTIVWDKKTGRPIYNAIVWQSRQTTEICNQLYKAGWQEYIRKTTGLVIDPYFSATKIKWILDHVEGSRERAERGELLFGTVDTWLIWKLTNGAVHVTDFTNASRTMLFDIEKLEWDEKLLQALGIPRAMLPEVRSSSEVYGYTHTISGQEVGIPIAGIAGDQQAALFGQMCVESGQAKNTYGTGCFLLMNTGKKIVRSEHGLLTTIACGASGEVNYALEGAVFNGGSCVQWLRDVLKVIKNAKDSELYATRVKDNNGVYVVPAFTGLGAPYWDPTARGAIFGLTRGASIEHIIRATLESIAFQTRDVLDAMQQDAEEELRTLRVDGGVTENNFLMQFQADILTTPVERPIMKETTALGAAFLAGLATGFWQDLHELRNKSAIEKVFEPKMPSEQAELIYKGWLKAVKRSQNWAED
Complex: ACP_Y_5(1GLL) / Model_13(1GLL/Y) = [6.1]	Download	1401.07	13.24	MCVENERDIQMSNCPKKYIVAFDQGTTSSRAIVLDHDANVVSIAQREFTQIYPQPGWVEHDPMEIWATQSAVWVEALAQAGIKSEQVAAIGITNQRETTIVWDKKTGRPIYNAIVWQSRQTTEICNQLYKAGWQEYIRKTTGLVIDPYFSATKIKWILDHVEGSRERAERGELLFGTVDTWLIWKLTNGAVHVTDFTNASRTMLFDIEKLEWDEKLLQALGIPRAMLPEVRSSSEVYGYTHTISGQEVGIPIAGIAGDQQAALFGQMCVESGQAKNTYGTGCFLLMNTGKKIVRSEHGLLTTIACGASGEVNYALEGAVFNGGSCVQWLRDVLKVIKNAKDSELYATRVKDNNGVYVVPAFTGLGAPYWDPTARGAIFGLTRGASIEHIIRATLESIAFQTRDVLDAMQQDAEEELRTLRVDGGVTENNFLMQFQADILTTPVERPIMKETTALGAAFLAGLATGFWQDLHELRNKSAIEKVFEPKMPSEQAELIYKGWLKAVKRSQNWAED
Complex: ATF_Y_5(1BWF) / Model_11(1BWF/Y) = [5.5]	Download	1461.41	15.78	MCVENERDIQMSNCPKKYIVAFDQGTTSSRAIVLDHDANVVSIAQREFTQIYPQPGWVEHDPMEIWATQSAVWVEALAQAGIKSEQVAAIGITNQRETTIVWDKKTGRPIYNAIVWQSRQTTEICNQLYKAGWQEYIRKTTGLVIDPYFSATKIKWILDHVEGSRERAERGELLFGTVDTWLIWKLTNGAVHVTDFTNASRTMLFDIEKLEWDEKLLQALGIPRAMLPEVRSSSEVYGYTHTISGQEVGIPIAGIAGDQQAALFGQMCVESGQAKNTYGTGCFLLMNTGKKIVRSEHGLLTTIACGASGEVNYALEGAVFNGGSCVQWLRDVLKVIKNAKDSELYATRVKDNNGVYVVPAFTGLGAPYWDPTARGAIFGLTRGASIEHIIRATLESIAFQTRDVLDAMQQDAEEELRTLRVDGGVTENNFLMQFQADILTTPVERPIMKETTALGAAFLAGLATGFWQDLHELRNKSAIEKVFEPKMPSEQAELIYKGWLKAVKRSQNWAED
Complex: ADP_G_6(1GLC) / Model_3(1GLC/G) = [5.1]	Download	1307.55	14.49	MCVENERDIQMSNCPKKYIVAFDQGTTSSRAIVLDHDANVVSIAQREFTQIYPQPGWVEHDPMEIWATQSAVWVEALAQAGIKSEQVAAIGITNQRETTIVWDKKTGRPIYNAIVWQSRQTTEICNQLYKAGWQEYIRKTTGLVIDPYFSATKIKWILDHVEGSRERAERGELLFGTVDTWLIWKLTNGAVHVTDFTNASRTMLFDIEKLEWDEKLLQALGIPRAMLPEVRSSSEVYGYTHTISGQEVGIPIAGIAGDQQAALFGQMCVESGQAKNTYGTGCFLLMNTGKKIVRSEHGLLTTIACGASGEVNYALEGAVFNGGSCVQWLRDVLKVIKNAKDSELYATRVKDNNGVYVVPAFTGLGAPYWDPTARGAIFGLTRGASIEHIIRATLESIAFQTRDVLDAMQQDAEEELRTLRVDGGVTENNFLMQFQADILTTPVERPIMKETTALGAAFLAGLATGFWQDLHELRNKSAIEKVFEPKMPSEQAELIYKGWLKAVKRSQNWAED
Consensus [pKd Mean = 5.82]	-	1365 (s=68)	14 (s=0)	MCVENERDIQMSNCPKKYIVAFDQGTTSSRAIVLDHDANVVSIAQREFTQIYPQPGWVEHDPMEIWATQSAVWVEALAQAGIKSEQVAAIGITNQRETTIVWDKKTGRPIYNAIVWQSRQTTEICNQLYKAGWQEYIRKTTGLVIDPYFSATKIKWILDHVEGSRERAERGELLFGTVDTWLIWKLTNGAVHVTDFTNASRTMLFDIEKLEWDEKLLQALGIPRAMLPEVRSSSEVYGYTHTISGQEVGIPIAGIAGDQQAALFGQMCVESGQAKNTYGTGCFLLMNTGKKIVRSEHGLLTTIACGASGEVNYALEGAVFNGGSCVQWLRDVLKVIKNAKDSELYATRVKDNNGVYVVPAFTGLGAPYWDPTARGAIFGLTRGASIEHIIRATLESIAFQTRDVLDAMQQDAEEELRTLRVDGGVTENNFLMQFQADILTTPVERPIMKETTALGAAFLAGLATGFWQDLHELRNKSAIEKVFEPKMPSEQAELIYKGWLKAVKRSQNWAED

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ASP	23	OD2	43	4	3[C], 10[P], 28[O], 1[F],
ASP	23	CG	35	4	7[P], 2[C], 25[O],
ASP	23	OD1	35	4	7[P], 3[C], 1[F], 23[O],
GLN	24	CG	1	4	1[O],
GLN	24	NE2	11	4	2[P], 8[O],
GLN	24	CD	9	4	2[P], 7[O],
GLN	24	OE1	10	4	2[P], 7[O],
THR	26	CG2	26	4	5[P], 3[C], 2[F], 15[O],
THR	26	OG1	34	4	2[F], 22[O], 6[P], 3[C],
THR	27	CG2	54	4	7[P], 15[C], 2[F], 29[O],
THR	27	OG1	71	4	19[C], 10[P], 39[O], 2[F],
SER	28	OG	50	4	30[O], 2[F], 7[C], 10[P],
ARG	30	CG	28	4	18[O], 1[C], 8[P],
ARG	30	CZ	39	4	9[P], 1[C], 29[O],
ARG	30	NE	47	4	10[P], 4[C], 1[F], 31[O],
ARG	30	CD	37	4	25[O], 10[P], 1[C],
GLN	45	NE2	27	4	18[O], 6[P], 3[C],
GLN	45	CG	8	4	8[O],
GLN	45	CD	17	4	14[O], 2[P], 1[C],
GLN	45	OE1	19	4	2[P], 2[C], 15[O],
GLU	47	CD	6	4	6[O],
GLU	47	CG	4	4	4[O],
GLU	47	OE1	8	4	6[O], 2[C],
GLU	47	OE2	5	4	4[O], 1[C],
PHE	48	CZ	13	4	10[O], 2[P],
PHE	48	CE2	9	4	2[P], 7[O],
PHE	48	CG	3	4	3[O],
PHE	48	CE1	10	4	2[P], 7[O],
PHE	48	CD2	3	4	3[O],
PHE	48	CD1	4	4	4[O],
GLN	50	OE1	3	4	3[O],
GLN	50	CG	2	4	2[O],
GLN	50	CD	3	4	3[O],
GLN	50	NE2	7	4	5[O], 1[P],
HIS	60	CE1	3	4	3[O],
HIS	60	NE2	4	4	4[O],
HIS	60	CD2	2	4	2[O],
GLN	95	NE2	9	4	2[P], 6[O],
GLN	95	OE1	4	4	4[O],
GLN	95	CG	11	4	7[O], 1[C], 2[P],
GLN	95	CD	9	4	6[O], 2[P],
TRP	116	CD1	1	4	1[O],
TRP	116	CE2	6	4	1[C], 4[O], 1[F],
TRP	116	NE1	7	4	1[F], 4[O], 1[P], 1[C],
TRP	116	CZ2	15	4	1[F], 7[O], 3[P], 3[C],
GLN	117	NE2	1	4	1[O],
ASP	258	OD2	35	4	6[P], 3[C], 2[F], 23[O],
ASP	258	OD1	14	4	3[P], 1[C], 1[F], 9[O],
ASP	258	CG	26	4	1[F], 15[O], 6[P], 3[C],
GLN	259	CD	7	4	1[P], 1[C], 5[O],
GLN	259	OE1	13	4	3[P], 2[C], 1[F], 7[O],
GLN	259	NE2	10	4	7[O], 2[P], 1[C],
GLN	259	CG	1	4	1[O],
THR	277	OG1	7	4	7[O],
THR	277	CG2	29	4	2[C], 8[P], 18[O], 1[F],
TYR	278	CD2	1	4	1[O],
TYR	278	CG	5	4	5[O],
THR	280	OG1	82	4	10[P], 23[C], 2[F], 46[O],
THR	280	CG2	55	4	15[C], 9[P], 28[O], 2[F],
PHE	283	CE1	7	4	2[C], 1[P], 3[O], 1[F],
PHE	283	CE2	7	4	4[O], 2[P], 1[C],
PHE	283	CG	2	4	2[O],
PHE	283	CD2	5	4	3[O], 1[C], 1[P],
PHE	283	CD1	5	4	1[C], 1[P], 2[O], 1[F],
PHE	283	CZ	7	4	2[C], 4[O], 1[F],
ASN	321	OD1	2	4	2[O],
SER	324	OG	23	4	1[P], 9[C], 2[F], 11[O],
CYS	325	SG	4	4	1[N], 2[O], 1[C],
VAL	326	CG1	68	4	12[O], 20[N], 36[C],
VAL	326	CG2	68	4	36[C], 20[N], 12[O],
GLN	327	CG	46	4	26[C], 12[O], 1[F], 7[N],
GLN	327	CD	55	4	1[P], 26[C], 2[F], 3[N], 23[O],
GLN	327	NE2	77	4	27[C], 9[P], 33[O], 5[N], 2[F], 1[A],
GLN	327	OE1	36	4	20[C], 13[O], 2[N], 1[F],
ARG	330	CG	2	4	2[O],
ARG	330	NE	5	4	4[O], 1[C],
ARG	330	CZ	13	4	5[O], 8[C],
ARG	330	CD	5	4	4[O], 1[C],
ASP	331	OD2	1	4	1[O],
ILE	336	CD1	16	4	3[O], 8[N], 5[C],
LYS	340	CG	26	4	12[C], 14[N],
LYS	340	CE	11	4	7[N], 4[C],
LYS	340	NZ	5	4	2[N], 3[C],
LYS	340	CD	15	4	8[N], 7[C],
SER	342	OG	49	4	25[C], 20[N], 4[O],
GLU	343	OE2	10	4	3[C], 7[N],
GLU	343	CD	14	4	6[C], 8[N],
GLU	343	CG	16	4	8[C], 8[N],
GLU	343	OE1	18	4	10[C], 8[N],
LEU	394	CG	20	4	11[C], 9[N],
LEU	394	CD2	35	4	18[C], 15[N], 2[O],
LEU	394	CD1	24	4	12[C], 12[N],
ILE	397	CD1	32	4	13[C], 10[N], 9[O],
ILE	397	CG1	8	4	4[C], 4[N],
ASP	422	OD2	5	4	5[O],
ASP	422	OD1	3	4	3[O],
ASP	422	CG	3	4	3[O],
VAL	425	CG1	80	4	39[C], 2[P], 19[O], 20[N],
VAL	425	CG2	84	4	20[N], 21[O], 3[P], 40[C],
THR	426	OG1	1	4	1[O],
THR	426	CG2	1	4	1[O],
GLU	427	OE1	52	4	6[O], 20[N], 26[C],
GLU	427	CD	50	4	23[C], 7[O], 20[N],
GLU	427	OE2	46	4	14[N], 8[O], 24[C],
GLU	427	CG	43	4	20[C], 4[O], 19[N],
ASN	428	OD1	37	4	18[N], 19[C],
ASN	428	CG	37	4	17[C], 20[N],
ASN	428	ND2	31	4	14[N], 17[C],
ASN	429	ND2	1	4	1[N],
LEU	431	CD1	27	4	13[N], 14[C],
LEU	431	CG	22	4	10[N], 12[C],
LEU	431	CD2	15	4	8[N], 7[C],
LYS	449	NZ	2	4	2[N],
LYS	449	CE	2	4	2[N],
LYS	449	CD	2	4	1[N], 1[C],
GLU	450	CG	4	4	4[O],
GLU	450	CD	6	4	1[P], 5[O],
GLU	450	OE1	7	4	1[P], 6[O],
GLU	450	OE2	6	4	6[O],
THR	451	OG1	1	4	1[O],
THR	452	CG2	10	4	10[O],
THR	452	OG1	17	4	13[O], 4[P],
Total = 122


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