Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: GDP_C_3(2H5E) / Model_1(2H5E/A) = [7.4]	Download	1143.51	5.44	MYFMSFKDELAAQVAQRRTFAIISHPDAGKTTMTEKLLLWGKAIQVAGMVKSRKSDRAATSDWMEMEKERGISITTSVMQFPYKGHTINLLDTPGHEDFSEDTYRTLTAVDSALMVIDGAKGVEERTIKLMEVCRMRDTPIISFVNKMDREIREPLELLDEIENVLNIRCVPITWPLGMGRDFAGVYNILEDKLYVYKAGFGSTITDIEVRDGYDHADIREKVGELAWASFEESLELVQMANEPLDRGLFLQGKQTPVLFGTALGNFGVDHVLDAFMHWAPEPKAHPTQERVVEAKEEGFSGFVFKIQANMDPKHRDRIAFMRICSGKYEKGLKMNHVRISKEVRISDALTFLAGEREHLEEAWPGDIIGLHNHGTIQIGDTFTSGENLHFTGIPHFAPEMFRRVRLKDPLKSKQLQKGLKELSEEGATQVFMPQISNDLIVGAVGVLQFDVVAYRLKEEYKVDCVYEPVSVNTVRWIHCDDEKILNEFKKKAHDQLSIDGGGHLTYLAPSRVNLQIMQERWPDIEFRSTREH
Complex: GCP_A_2(2J7K) / Model_15(2J7K/A) = [7.0]	Download	1191.50	2.26	MYFMSFKDELAAQVAQRRTFAIISHPDAGKTTMTEKLLLWGKAIQVAGMVKSRKSDRAATSDWMEMEKERGISITTSVMQFPYKGHTINLLDTPGHEDFSEDTYRTLTAVDSALMVIDGAKGVEERTIKLMEVCRMRDTPIISFVNKMDREIREPLELLDEIENVLNIRCVPITWPLGMGRDFAGVYNILEDKLYVYKAGFGSTITDIEVRDGYDHADIREKVGELAWASFEESLELVQMANEPLDRGLFLQGKQTPVLFGTALGNFGVDHVLDAFMHWAPEPKAHPTQERVVEAKEEGFSGFVFKIQANMDPKHRDRIAFMRICSGKYEKGLKMNHVRISKEVRISDALTFLAGEREHLEEAWPGDIIGLHNHGTIQIGDTFTSGENLHFTGIPHFAPEMFRRVRLKDPLKSKQLQKGLKELSEEGATQVFMPQISNDLIVGAVGVLQFDVVAYRLKEEYKVDCVYEPVSVNTVRWIHCDDEKILNEFKKKAHDQLSIDGGGHLTYLAPSRVNLQIMQERWPDIEFRSTREH
Consensus [pKd Mean = 7.20]	-	1167 (s=24)	3 (s=1)	MYFMSFKDELAAQVAQRRTFAIISHPDAGKTTMTEKLLLWGKAIQVAGMVKSRKSDRAATSDWMEMEKERGISITTSVMQFPYKGHTINLLDTPGHEDFSEDTYRTLTAVDSALMVIDGAKGVEERTIKLMEVCRMRDTPIISFVNKMDREIREPLELLDEIENVLNIRCVPITWPLGMGRDFAGVYNILEDKLYVYKAGFGSTITDIEVRDGYDHADIREKVGELAWASFEESLELVQMANEPLDRGLFLQGKQTPVLFGTALGNFGVDHVLDAFMHWAPEPKAHPTQERVVEAKEEGFSGFVFKIQANMDPKHRDRIAFMRICSGKYEKGLKMNHVRISKEVRISDALTFLAGEREHLEEAWPGDIIGLHNHGTIQIGDTFTSGENLHFTGIPHFAPEMFRRVRLKDPLKSKQLQKGLKELSEEGATQVFMPQISNDLIVGAVGVLQFDVVAYRLKEEYKVDCVYEPVSVNTVRWIHCDDEKILNEFKKKAHDQLSIDGGGHLTYLAPSRVNLQIMQERWPDIEFRSTREH

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
SER	24	C	2	2	2[O],
SER	24	CB	2	2	2[O],
SER	24	CA	1	2	1[O],
SER	24	OG	7	2	2[P], 5[O],
SER	24	O	2	2	2[O],
HIS	25	O	9	2	2[P], 6[O], 1[C],
HIS	25	N	1	2	1[O],
HIS	25	C	5	2	1[P], 4[O],
PRO	26	CD	1	2	1[O],
PRO	26	O	5	2	1[C], 1[P], 3[O],
PRO	26	N	6	2	1[C], 1[P], 4[O],
PRO	26	CA	10	2	1[C], 6[O], 3[P],
PRO	26	CB	7	2	1[C], 1[P], 5[O],
PRO	26	CG	4	2	3[O], 1[P],
PRO	26	C	11	2	1[C], 7[O], 3[P],
ASP	27	OD2	14	2	2[P], 7[O], 5[C],
ASP	27	O	28	2	2[N], 10[C], 12[O], 4[P],
ASP	27	CA	25	2	5[C], 15[O], 5[P],
ASP	27	CB	17	2	9[O], 3[P], 5[C],
ASP	27	N	20	2	3[C], 5[P], 12[O],
ASP	27	CG	13	2	1[P], 6[O], 6[C],
ASP	27	OD1	15	2	8[O], 3[P], 4[C],
ASP	27	C	22	2	5[C], 4[P], 13[O],
ALA	28	N	19	2	4[C], 11[O], 4[P],
ALA	28	CA	11	2	2[C], 6[O], 3[P],
ALA	28	C	24	2	5[C], 3[N], 12[O], 4[P],
ALA	28	CB	5	2	4[O], 1[P],
ALA	28	O	23	2	9[O], 2[P], 4[N], 8[C],
GLY	29	CA	32	2	9[C], 4[N], 4[P], 15[O],
GLY	29	O	17	2	2[N], 2[C], 9[O], 4[P],
GLY	29	N	28	2	15[O], 4[P], 6[C], 3[N],
GLY	29	C	22	2	13[O], 4[P], 2[N], 3[C],
LYS	30	CE	12	2	1[C], 8[O], 3[P],
LYS	30	C	13	2	9[O], 4[P],
LYS	30	O	5	2	5[O],
LYS	30	CA	14	2	4[P], 10[O],
LYS	30	CB	15	2	1[C], 3[P], 11[O],
LYS	30	NZ	10	2	1[C], 7[O], 2[P],
LYS	30	N	19	2	2[C], 4[P], 13[O],
LYS	30	CD	8	2	6[O], 2[P],
LYS	30	CG	9	2	7[O], 2[P],
THR	31	OG1	21	2	1[C], 15[O], 5[P],
THR	31	C	11	2	3[P], 8[O],
THR	31	CG2	8	2	6[O], 2[P],
THR	31	CB	19	2	1[C], 4[P], 14[O],
THR	31	N	19	2	14[O], 4[P], 1[C],
THR	31	O	3	2	3[O],
THR	31	CA	14	2	10[O], 4[P],
THR	32	OG1	36	2	14[O], 2[P], 16[C], 4[N],
THR	32	C	4	2	2[O], 1[C], 1[N],
THR	32	CG2	22	2	7[O], 4[N], 11[C],
THR	32	N	17	2	10[O], 4[P], 2[C], 1[N],
THR	32	CA	10	2	2[N], 2[C], 2[P], 4[O],
THR	32	CB	28	2	2[P], 10[O], 12[C], 4[N],
MET	33	N	3	2	1[N], 2[O],
HIS	96	NE2	7	2	2[P], 5[O],
HIS	96	CD2	4	2	3[O], 1[P],
HIS	96	CG	1	2	1[O],
HIS	96	ND1	3	2	1[P], 2[O],
HIS	96	N	1	2	1[O],
HIS	96	CE1	6	2	5[O], 1[P],
ASP	118	OD2	1	2	1[O],
ASN	146	CA	4	2	2[O], 2[C],
ASN	146	O	1	2	1[O],
ASN	146	C	7	2	2[O], 2[N], 3[C],
ASN	146	OD1	17	2	2[O], 9[C], 6[N],
ASN	146	ND2	17	2	9[C], 6[N], 2[O],
ASN	146	CB	8	2	4[C], 2[N], 2[O],
ASN	146	CG	15	2	2[O], 8[C], 5[N],
LYS	147	N	14	2	5[N], 7[C], 2[O],
LYS	147	CE	34	2	5[O], 19[C], 10[N],
LYS	147	O	10	2	4[N], 4[C], 2[O],
LYS	147	CB	18	2	2[O], 8[C], 8[N],
LYS	147	CG	25	2	4[O], 10[N], 11[C],
LYS	147	NZ	33	2	5[O], 20[C], 8[N],
LYS	147	CD	26	2	12[C], 10[N], 4[O],
LYS	147	C	10	2	4[N], 4[C], 2[O],
LYS	147	CA	18	2	8[N], 8[C], 2[O],
MET	148	N	6	2	2[C], 2[N], 2[O],
ASP	149	N	7	2	4[N], 2[C], 1[O],
ASP	149	CG	13	2	5[C], 6[N], 2[O],
ASP	149	O	2	2	2[N],
ASP	149	OD1	13	2	2[O], 6[C], 5[N],
ASP	149	C	4	2	4[N],
ASP	149	CB	9	2	5[N], 3[C], 1[O],
ASP	149	CA	5	2	1[C], 4[N],
ASP	149	OD2	15	2	2[O], 6[C], 7[N],
ARG	150	CZ	1	2	1[N],
ARG	150	CG	6	2	2[C], 4[N],
ARG	150	NE	3	2	2[N], 1[C],
ARG	150	N	6	2	2[C], 4[N],
ARG	150	CB	7	2	2[C], 5[N],
ARG	150	CA	4	2	1[C], 3[N],
ARG	150	CD	5	2	3[N], 2[C],
GLY	261	C	2	2	2[O],
GLY	261	O	3	2	1[C], 2[O],
THR	262	N	3	2	1[C], 2[O],
THR	262	OG1	12	2	2[O], 5[N], 5[C],
THR	262	CG2	10	2	4[C], 4[N], 2[O],
THR	262	CA	8	2	4[C], 2[N], 2[O],
THR	262	C	9	2	2[O], 3[N], 4[C],
THR	262	CB	7	2	2[O], 3[C], 2[N],
THR	262	O	4	2	2[C], 2[O],
ALA	263	CA	11	2	2[O], 5[C], 4[N],
ALA	263	CB	11	2	2[O], 6[C], 3[N],
ALA	263	N	10	2	4[C], 4[N], 2[O],
ALA	263	O	7	2	3[C], 2[N], 2[O],
ALA	263	C	13	2	2[O], 7[C], 4[N],
LEU	264	N	20	2	8[N], 10[C], 2[O],
LEU	264	O	1	2	1[O],
LEU	264	CA	20	2	8[N], 10[C], 2[O],
LEU	264	CD1	28	2	9[N], 14[C], 5[O],
LEU	264	CD2	25	2	13[C], 9[N], 3[O],
LEU	264	CB	27	2	4[O], 13[C], 10[N],
LEU	264	C	9	2	4[C], 3[N], 2[O],
LEU	264	CG	27	2	4[O], 10[N], 13[C],
GLY	265	N	8	2	2[O], 2[N], 4[C],
GLY	265	CA	1	2	1[O],
Total = 118


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