Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C5_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 C5_S1
Complex: GNP_A_12(2J7P) / Model_36(2J7P/A) = [9.4]	Download	1060.78	5.48	MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK
Complex: GCP_B_6(1RJ9) / Model_7(1RJ9/B) = [9.4]	Download	1122.73	6.96	MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK
Complex: GDP_B_6(5L3V) / Model_46(5L3V/B) = [8.5]	Download	868.94	4.10	MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK
Complex: CIT_B_4(1VMA) / Model_66(1VMA/B) = [3.9]	Download	598.93	13.00	MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK
Complex: OXY_A_3(1LS1) / Model_18(1LS1/A) = [3.1]	Download	198.18	8.00	MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK
Consensus [pKd Mean = 6.86]	-	769 (s=339)	7 (s=3)	MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLMNPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LEU	108	CG	3	5	1[C], 2[O],
LEU	108	CD1	1	5	1[O],
GLN	109	OE1	23	5	4[P], 4[C], 15[O],
GLN	109	CD	26	5	3[P], 17[O], 1[N], 5[C],
GLN	109	CG	31	5	5[P], 19[O], 1[N], 6[C],
GLN	109	NE2	22	5	15[O], 3[C], 4[P],
LYS	113	CG	45	5	29[O], 1[N], 7[C], 8[P],
LYS	113	CD	39	5	7[P], 24[O], 1[N], 7[C],
LYS	113	CE	42	5	7[C], 1[N], 26[O], 8[P],
LYS	113	NZ	41	5	27[O], 1[N], 5[C], 8[P],
THR	114	CG2	44	5	27[O], 1[N], 8[C], 8[P],
THR	114	OG1	51	5	32[O], 1[N], 10[C], 8[P],
THR	115	CG2	83	5	3[P], 13[N], 31[O], 36[C],
THR	115	OG1	93	5	6[P], 37[O], 13[N], 37[C],
THR	116	OG1	54	5	18[C], 8[N], 22[O], 6[P],
THR	116	CG2	9	5	3[C], 3[O], 3[N],
LYS	119	CD	29	5	3[O], 11[N], 15[C],
LYS	119	NZ	44	5	21[C], 8[O], 15[N],
LYS	119	CE	44	5	8[O], 15[N], 21[C],
LYS	119	CG	16	5	10[C], 3[N], 3[O],
ASP	138	OD2	30	5	5[C], 1[N], 19[O], 5[P],
ASP	138	OD1	21	5	2[C], 15[O], 4[P],
ASP	138	CG	23	5	1[N], 14[O], 3[C], 5[P],
ARG	141	CZ	60	5	16[C], 35[O], 1[N], 8[P],
ARG	141	NE	49	5	8[P], 1[N], 31[O], 9[C],
ARG	141	CG	28	5	6[P], 1[N], 19[O], 2[C],
ARG	141	CD	43	5	5[C], 29[O], 1[N], 8[P],
PRO	142	CD	2	5	2[O],
GLN	147	OE1	61	5	34[O], 1[N], 18[C], 8[P],
GLN	147	NE2	75	5	38[O], 4[N], 25[C], 8[P],
GLN	147	CD	62	5	8[P], 34[O], 1[N], 19[C],
GLN	147	CG	37	5	11[C], 21[O], 5[P],
LEU	148	CD1	3	5	3[O],
VAL	151	CG2	4	5	4[O],
ASP	190	OD1	37	5	7[P], 1[N], 23[O], 6[C],
ASP	190	OD2	39	5	6[C], 1[N], 24[O], 8[P],
ASP	190	CG	31	5	7[P], 3[C], 1[N], 20[O],
THR	191	OG1	3	5	3[O],
ARG	194	CD	2	5	2[O],
ARG	194	CG	2	5	2[O],
ARG	194	NE	2	5	2[O],
ARG	194	CZ	2	5	2[O],
LEU	195	CG	3	5	3[O],
LEU	195	CD2	3	5	3[O],
LEU	195	CD1	3	5	3[O],
HIS	196	NE2	2	5	2[O],
HIS	196	CD2	2	5	2[O],
HIS	196	CG	2	5	2[O],
HIS	196	CE1	2	5	2[O],
HIS	196	ND1	2	5	2[O],
ASP	198	CG	1	5	1[O],
ASP	198	OD1	1	5	1[O],
ASP	198	OD2	1	5	1[O],
MET	201	SD	2	5	2[O],
VAL	220	CG1	34	5	5[P], 8[C], 3[N], 18[O],
VAL	220	CG2	11	5	2[P], 7[O], 2[C],
ASP	222	OD1	26	5	14[C], 5[O], 7[N],
ASP	222	OD2	21	5	5[O], 3[N], 13[C],
ASP	222	CG	19	5	11[C], 5[N], 3[O],
MET	224	SD	4	5	1[O], 2[N], 1[C],
ILE	246	CG2	5	5	3[O], 2[N],
THR	248	OG1	56	5	25[C], 14[N], 17[O],
THR	248	CG2	49	5	19[C], 18[O], 12[N],
LYS	249	CD	64	5	30[C], 15[N], 19[O],
LYS	249	CE	80	5	5[P], 33[C], 27[O], 15[N],
LYS	249	NZ	87	5	6[P], 34[C], 31[O], 16[N],
LYS	249	CG	61	5	30[C], 15[N], 16[O],
THR	250	CG2	9	5	3[C], 3[O], 3[N],
THR	250	OG1	16	5	8[C], 3[O], 5[N],
ASP	251	OD1	35	5	17[C], 3[O], 15[N],
ASP	251	CG	30	5	3[O], 15[N], 12[C],
ASP	251	OD2	32	5	14[C], 3[O], 15[N],
ASP	253	OD2	3	5	1[C], 2[N],
MET	275	CG	9	5	3[C], 3[O], 3[N],
MET	275	CE	2	5	2[O],
MET	275	SD	9	5	3[O], 3[N], 3[C],
GLU	277	OE2	41	5	19[C], 13[N], 9[O],
GLU	277	OE1	39	5	18[C], 9[O], 12[N],
GLU	277	CG	53	5	25[C], 15[N], 13[O],
GLU	277	CD	45	5	13[N], 9[O], 23[C],
LEU	282	CD1	5	5	1[C], 1[N], 3[O],
LEU	282	CG	1	5	1[O],
Total = 82


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