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] : 5 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: GCP_B_7(5L3R) / Model_102(5L3R/B) = [8.5]	Download	1101.23	11.54	MAFESLTERLQNVFKNLRKKGKISESDVQEATKEIRLALLEADVALPVVKDFIKKVRERAVGHEVIDTLNPAQQIIKIVDEELTAVLGSDTAEIIKSPKIPTIIMMVGLQGAGKTTFAGKLANKLKKEENARPLMVAADIYRPAAIDQLKTLGQQIDVPVFALGTEVPAVEIVRQGLEQAQTNHNDYVLIDTAGRLQIDELLMNELRDVKALAQPNEILLVVDAMIGQEAANVAREFNAQLEVTGVILTKIDGDTRGGAALSVRHITGKPIKFTGTGEKITDIETFHPDRMSSRILGMGDMLTLIEKASQEYDEQKALEMAEKMRENTFDFNDFIDQLDQVQNMGPMEDLLKMIPGMANNPALQNMKVDERQIARKRAIVSSMTPEERENPDLLNPSRRRRIAAGSGNTFVEVNKFIKDFNQAKQLMQGVMSGDMNKMMKQMGINPNNLPKNMPNMGGMDMSALEGMMGQGGMPDLSALGGAGMPDMSQMFGGGLKGKIGEFAMKQSMKRMANKMKKAKKKRK
Complex: GNP_B_2(1JPJ) / Model_15(1JPJ/A) = [7.6]	Download	1248.80	20.92	MAFESLTERLQNVFKNLRKKGKISESDVQEATKEIRLALLEADVALPVVKDFIKKVRERAVGHEVIDTLNPAQQIIKIVDEELTAVLGSDTAEIIKSPKIPTIIMMVGLQGAGKTTFAGKLANKLKKEENARPLMVAADIYRPAAIDQLKTLGQQIDVPVFALGTEVPAVEIVRQGLEQAQTNHNDYVLIDTAGRLQIDELLMNELRDVKALAQPNEILLVVDAMIGQEAANVAREFNAQLEVTGVILTKIDGDTRGGAALSVRHITGKPIKFTGTGEKITDIETFHPDRMSSRILGMGDMLTLIEKASQEYDEQKALEMAEKMRENTFDFNDFIDQLDQVQNMGPMEDLLKMIPGMANNPALQNMKVDERQIARKRAIVSSMTPEERENPDLLNPSRRRRIAAGSGNTFVEVNKFIKDFNQAKQLMQGVMSGDMNKMMKQMGINPNNLPKNMPNMGGMDMSALEGMMGQGGMPDLSALGGAGMPDMSQMFGGGLKGKIGEFAMKQSMKRMANKMKKAKKKRK
Complex: GDP_B_17(3DM5) / Model_26(3DM5/B) = [7.0]	Download	923.75	16.14	MAFESLTERLQNVFKNLRKKGKISESDVQEATKEIRLALLEADVALPVVKDFIKKVRERAVGHEVIDTLNPAQQIIKIVDEELTAVLGSDTAEIIKSPKIPTIIMMVGLQGAGKTTFAGKLANKLKKEENARPLMVAADIYRPAAIDQLKTLGQQIDVPVFALGTEVPAVEIVRQGLEQAQTNHNDYVLIDTAGRLQIDELLMNELRDVKALAQPNEILLVVDAMIGQEAANVAREFNAQLEVTGVILTKIDGDTRGGAALSVRHITGKPIKFTGTGEKITDIETFHPDRMSSRILGMGDMLTLIEKASQEYDEQKALEMAEKMRENTFDFNDFIDQLDQVQNMGPMEDLLKMIPGMANNPALQNMKVDERQIARKRAIVSSMTPEERENPDLLNPSRRRRIAAGSGNTFVEVNKFIKDFNQAKQLMQGVMSGDMNKMMKQMGINPNNLPKNMPNMGGMDMSALEGMMGQGGMPDLSALGGAGMPDMSQMFGGGLKGKIGEFAMKQSMKRMANKMKKAKKKRK
Complex: CIT_B_4(1VMA) / Model_70(1VMA/B) = [3.9]	Download	612.39	13.00	MAFESLTERLQNVFKNLRKKGKISESDVQEATKEIRLALLEADVALPVVKDFIKKVRERAVGHEVIDTLNPAQQIIKIVDEELTAVLGSDTAEIIKSPKIPTIIMMVGLQGAGKTTFAGKLANKLKKEENARPLMVAADIYRPAAIDQLKTLGQQIDVPVFALGTEVPAVEIVRQGLEQAQTNHNDYVLIDTAGRLQIDELLMNELRDVKALAQPNEILLVVDAMIGQEAANVAREFNAQLEVTGVILTKIDGDTRGGAALSVRHITGKPIKFTGTGEKITDIETFHPDRMSSRILGMGDMLTLIEKASQEYDEQKALEMAEKMRENTFDFNDFIDQLDQVQNMGPMEDLLKMIPGMANNPALQNMKVDERQIARKRAIVSSMTPEERENPDLLNPSRRRRIAAGSGNTFVEVNKFIKDFNQAKQLMQGVMSGDMNKMMKQMGINPNNLPKNMPNMGGMDMSALEGMMGQGGMPDLSALGGAGMPDMSQMFGGGLKGKIGEFAMKQSMKRMANKMKKAKKKRK
Complex: OXY_A_3(1LS1) / Model_18(1LS1/A) = [3.2]	Download	389.32	29.83	MAFESLTERLQNVFKNLRKKGKISESDVQEATKEIRLALLEADVALPVVKDFIKKVRERAVGHEVIDTLNPAQQIIKIVDEELTAVLGSDTAEIIKSPKIPTIIMMVGLQGAGKTTFAGKLANKLKKEENARPLMVAADIYRPAAIDQLKTLGQQIDVPVFALGTEVPAVEIVRQGLEQAQTNHNDYVLIDTAGRLQIDELLMNELRDVKALAQPNEILLVVDAMIGQEAANVAREFNAQLEVTGVILTKIDGDTRGGAALSVRHITGKPIKFTGTGEKITDIETFHPDRMSSRILGMGDMLTLIEKASQEYDEQKALEMAEKMRENTFDFNDFIDQLDQVQNMGPMEDLLKMIPGMANNPALQNMKVDERQIARKRAIVSSMTPEERENPDLLNPSRRRRIAAGSGNTFVEVNKFIKDFNQAKQLMQGVMSGDMNKMMKQMGINPNNLPKNMPNMGGMDMSALEGMMGQGGMPDLSALGGAGMPDMSQMFGGGLKGKIGEFAMKQSMKRMANKMKKAKKKRK
Consensus [pKd Mean = 6.04]	-	855 (s=315)	18 (s=6)	MAFESLTERLQNVFKNLRKKGKISESDVQEATKEIRLALLEADVALPVVKDFIKKVRERAVGHEVIDTLNPAQQIIKIVDEELTAVLGSDTAEIIKSPKIPTIIMMVGLQGAGKTTFAGKLANKLKKEENARPLMVAADIYRPAAIDQLKTLGQQIDVPVFALGTEVPAVEIVRQGLEQAQTNHNDYVLIDTAGRLQIDELLMNELRDVKALAQPNEILLVVDAMIGQEAANVAREFNAQLEVTGVILTKIDGDTRGGAALSVRHITGKPIKFTGTGEKITDIETFHPDRMSSRILGMGDMLTLIEKASQEYDEQKALEMAEKMRENTFDFNDFIDQLDQVQNMGPMEDLLKMIPGMANNPALQNMKVDERQIARKRAIVSSMTPEERENPDLLNPSRRRRIAAGSGNTFVEVNKFIKDFNQAKQLMQGVMSGDMNKMMKQMGINPNNLPKNMPNMGGMDMSALEGMMGQGGMPDLSALGGAGMPDMSQMFGGGLKGKIGEFAMKQSMKRMANKMKKAKKKRK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
MET	1	CG	1	5	1[N],
MET	1	CE	1	5	1[N],
LEU	109	CD1	1	5	1[O],
LEU	109	CG	3	5	2[O], 1[C],
GLN	110	CD	34	5	21[O], 6[C], 1[N], 6[P],
GLN	110	CG	41	5	7[P], 25[O], 8[C], 1[N],
GLN	110	NE2	31	5	5[P], 1[N], 5[C], 20[O],
GLN	110	OE1	23	5	4[P], 13[O], 5[C], 1[N],
LYS	114	NZ	37	5	1[N], 4[C], 25[O], 7[P],
LYS	114	CG	43	5	8[P], 27[O], 7[C], 1[N],
LYS	114	CD	35	5	6[P], 21[O], 7[C], 1[N],
LYS	114	CE	40	5	7[P], 1[N], 7[C], 25[O],
THR	115	CG2	45	5	1[N], 7[C], 29[O], 8[P],
THR	115	OG1	51	5	8[P], 32[O], 10[C], 1[N],
THR	116	CG2	81	5	30[O], 12[N], 36[C], 3[P],
THR	116	OG1	96	5	39[O], 37[C], 13[N], 7[P],
PHE	117	CE2	8	5	4[C], 4[O],
PHE	117	CE1	8	5	3[C], 5[O],
PHE	117	CG	17	5	7[O], 3[N], 7[C],
PHE	117	CD2	8	5	4[C], 4[O],
PHE	117	CD1	19	5	5[O], 11[C], 3[N],
PHE	117	CZ	6	5	3[C], 3[O],
LYS	120	CG	15	5	3[O], 9[C], 3[N],
LYS	120	CD	25	5	4[O], 9[N], 12[C],
LYS	120	NZ	46	5	22[C], 15[N], 9[O],
LYS	120	CE	44	5	10[O], 13[N], 21[C],
ASP	139	CG	15	5	2[P], 3[C], 10[O],
ASP	139	OD2	26	5	6[C], 16[O], 4[P],
ASP	139	OD1	10	5	1[P], 8[O], 1[C],
TYR	141	CD2	2	5	2[O],
TYR	141	CE2	1	5	1[O],
ARG	142	NE	29	5	4[P], 7[C], 18[O],
ARG	142	CG	16	5	11[O], 2[C], 3[P],
ARG	142	CZ	34	5	8[C], 21[O], 5[P],
ARG	142	CD	28	5	5[C], 19[O], 4[P],
PRO	143	CD	1	5	1[O],
GLN	148	NE2	72	5	2[N], 23[C], 39[O], 8[P],
GLN	148	OE1	56	5	8[P], 34[O], 13[C], 1[N],
GLN	148	CG	39	5	7[P], 25[O], 6[C], 1[N],
GLN	148	CD	59	5	1[N], 17[C], 33[O], 8[P],
LEU	149	CD1	2	5	2[O],
LEU	149	CD2	1	5	1[O],
LEU	152	CG	5	5	5[O],
LEU	152	CD1	16	5	1[N], 2[C], 10[O], 3[P],
LEU	152	CD2	5	5	5[O],
ASP	191	OD2	34	5	20[O], 6[C], 1[N], 7[P],
ASP	191	CG	20	5	4[P], 13[O], 2[C], 1[N],
ASP	191	OD1	32	5	20[O], 6[C], 1[N], 5[P],
THR	192	OG1	3	5	3[O],
ARG	195	CD	3	5	3[O],
ARG	195	NE	2	5	2[O],
ARG	195	CZ	3	5	3[O],
ARG	195	CG	3	5	3[O],
LEU	196	CG	2	5	2[O],
LEU	196	CD2	2	5	2[O],
LEU	196	CD1	2	5	2[O],
GLN	197	OE1	1	5	1[O],
GLN	197	NE2	1	5	1[O],
GLN	197	CD	1	5	1[O],
GLN	197	CG	2	5	2[O],
ASP	199	CG	1	5	1[O],
ASP	199	OD1	1	5	1[O],
ASP	199	OD2	1	5	1[O],
LEU	202	CD2	1	5	1[O],
VAL	221	CG2	14	5	11[O], 2[C], 1[P],
VAL	221	CG1	33	5	4[P], 18[O], 3[N], 8[C],
ASP	223	OD2	21	5	6[O], 3[N], 12[C],
ASP	223	CG	16	5	7[C], 5[N], 4[O],
ASP	223	OD1	26	5	10[N], 12[C], 4[O],
MET	225	CG	5	5	1[C], 4[N],
MET	225	SD	14	5	1[O], 7[N], 6[C],
MET	225	CE	5	5	1[C], 4[N],
ILE	247	CG2	4	5	1[N], 3[O],
THR	249	CG2	48	5	18[C], 12[N], 17[O], 1[P],
THR	249	OG1	55	5	1[P], 25[C], 14[N], 15[O],
LYS	250	NZ	87	5	6[P], 34[C], 15[N], 32[O],
LYS	250	CD	66	5	1[P], 20[O], 15[N], 30[C],
LYS	250	CG	61	5	30[C], 15[N], 16[O],
LYS	250	CE	82	5	5[P], 33[C], 15[N], 29[O],
ILE	251	CG2	10	5	3[O], 3[N], 4[C],
ILE	251	CD1	3	5	1[C], 1[N], 1[O],
ILE	251	CG1	6	5	2[C], 2[N], 2[O],
ASP	252	OD1	34	5	16[C], 15[N], 3[O],
ASP	252	CG	31	5	13[C], 15[N], 3[O],
ASP	252	OD2	34	5	16[C], 15[N], 3[O],
THR	274	OG1	1	5	1[O],
THR	274	CG2	3	5	2[O], 1[C],
THR	276	CG2	11	5	3[O], 4[N], 4[C],
THR	276	OG1	9	5	3[C], 3[N], 3[O],
GLU	278	CD	62	5	16[O], 15[N], 31[C],
GLU	278	CG	60	5	30[C], 15[N], 15[O],
GLU	278	OE2	61	5	30[C], 15[N], 15[O], 1[P],
GLU	278	OE1	60	5	1[P], 15[N], 29[C], 15[O],
ASP	282	OD1	10	5	3[O], 3[N], 4[C],
ASP	282	OD2	29	5	4[O], 13[C], 12[N],
ASP	282	CG	24	5	3[O], 11[C], 10[N],
ILE	283	CD1	6	5	1[O], 2[N], 3[C],
ILE	283	CG1	6	5	3[O], 2[C], 1[N],
Total = 98


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