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] : 1 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: 8OD_C_11(3NBF) / Model_71(3NBF/C) = [5.5]	Download	615.45	6.92	MTSGFETLNLHPQLKKAIDALGFTQMTPIQQKVLKYTLAGHDAIGRAQTGTGKTAAFLISVINDLLNNPVQEQRFRGEPRALILAPTRELALQIESDAKSLTKFSNLHLVTLLGGVDFDKQKKQLDANFVDIMVATPGRLIDFVEQKEVWLDQIEFLVIDEADRLLDMGFIPSVKRIVRYSPRKEQRQTLMFSATFSYDVLNLARQWLFEPVTVEIEPEQKTNNDVEQRVYVVAKQDKYRLLQDILREEPIDKVMIFANRRDQVRRLYDHLKKDGYKVGMLSGEIAQDKRLKMLEQFKQGKHNIMIATDVAGRGIHVEGVSHVVNFTLPEQSDDYVHRIGRTGRAGAQGVSISFLSEDDAFYLPEIEKAIGKKLPLTRLDGYC
Consensus [pKd Mean = 5.50]	-	615 (s=0)	6 (s=0)	MTSGFETLNLHPQLKKAIDALGFTQMTPIQQKVLKYTLAGHDAIGRAQTGTGKTAAFLISVINDLLNNPVQEQRFRGEPRALILAPTRELALQIESDAKSLTKFSNLHLVTLLGGVDFDKQKKQLDANFVDIMVATPGRLIDFVEQKEVWLDQIEFLVIDEADRLLDMGFIPSVKRIVRYSPRKEQRQTLMFSATFSYDVLNLARQWLFEPVTVEIEPEQKTNNDVEQRVYVVAKQDKYRLLQDILREEPIDKVMIFANRRDQVRRLYDHLKKDGYKVGMLSGEIAQDKRLKMLEQFKQGKHNIMIATDVAGRGIHVEGVSHVVNFTLPEQSDDYVHRIGRTGRAGAQGVSISFLSEDDAFYLPEIEKAIGKKLPLTRLDGYC

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ALA	85	O	1	1	1[O],
PRO	86	O	13	1	7[C], 1[P], 2[N], 3[O],
PRO	86	C	8	1	3[O], 2[N], 3[C],
PRO	86	CA	1	1	1[C],
THR	87	CA	12	1	7[C], 2[N], 3[O],
THR	87	CB	11	1	3[N], 2[O], 6[C],
THR	87	OG1	7	1	3[C], 1[O], 3[N],
THR	87	CG2	14	1	7[C], 2[O], 5[N],
THR	87	N	8	1	3[C], 2[N], 3[O],
THR	87	O	4	1	1[N], 1[O], 2[C],
THR	87	C	9	1	2[N], 3[O], 4[C],
ARG	88	CZ	18	1	6[C], 2[P], 1[N], 9[O],
ARG	88	CD	16	1	2[N], 7[O], 6[C], 1[P],
ARG	88	NE	20	1	10[O], 2[N], 2[P], 6[C],
ARG	88	CB	8	1	2[N], 3[O], 3[C],
ARG	88	C	3	1	1[N], 1[O], 1[C],
ARG	88	CG	16	1	1[P], 6[C], 7[O], 2[N],
ARG	88	N	13	1	7[C], 2[N], 4[O],
ARG	88	CA	6	1	1[N], 3[O], 2[C],
GLU	89	OE2	10	1	1[O], 4[N], 5[C],
GLU	89	OE1	9	1	1[O], 4[N], 4[C],
GLU	89	CD	9	1	4[N], 1[O], 4[C],
GLU	89	CB	1	1	1[N],
GLU	89	N	3	1	1[C], 1[O], 1[N],
GLU	89	CA	1	1	1[N],
GLU	89	CG	6	1	2[N], 1[O], 3[C],
LEU	113	C	4	1	3[O], 1[P],
LEU	113	CD1	1	1	1[O],
LEU	113	CB	3	1	1[P], 2[O],
LEU	113	CA	3	1	2[O], 1[P],
LEU	113	O	2	1	2[O],
GLY	114	C	7	1	2[P], 5[O],
GLY	114	N	9	1	2[P], 1[C], 6[O],
GLY	114	CA	9	1	6[O], 2[P], 1[C],
GLY	114	O	3	1	2[O], 1[P],
GLY	115	N	6	1	4[O], 2[P],
GLY	115	CA	2	1	2[O],
THR	136	C	4	1	2[O], 1[P], 1[C],
THR	136	O	3	1	1[P], 2[O],
THR	136	OG1	8	1	2[C], 1[P], 5[O],
THR	136	CA	5	1	3[O], 1[C], 1[P],
THR	136	N	2	1	2[O],
THR	136	CG2	8	1	2[C], 1[P], 5[O],
THR	136	CB	7	1	4[O], 2[C], 1[P],
PRO	137	O	1	1	1[O],
PRO	137	CB	1	1	1[O],
PRO	137	CG	1	1	1[O],
PRO	137	N	4	1	1[P], 1[C], 2[O],
PRO	137	CD	4	1	1[C], 1[P], 2[O],
PRO	137	C	4	1	3[O], 1[P],
PRO	137	CA	2	1	2[O],
GLY	138	CA	8	1	2[P], 6[O],
GLY	138	C	8	1	2[P], 6[O],
GLY	138	O	6	1	2[P], 4[O],
GLY	138	N	9	1	6[O], 1[C], 2[P],
ARG	139	C	2	1	2[O],
ARG	139	NE	2	1	2[O],
ARG	139	CZ	1	1	1[O],
ARG	139	CD	2	1	2[O],
ARG	139	N	8	1	2[P], 6[O],
ARG	139	CA	6	1	2[P], 4[O],
ARG	139	CB	6	1	4[O], 2[P],
ARG	139	CG	2	1	2[O],
LEU	140	N	1	1	1[O],
ASP	142	OD2	2	1	1[O], 1[P],
ASP	142	CG	1	1	1[O],
MET	168	CG	1	1	1[O],
MET	168	CE	18	1	5[O], 4[N], 9[C],
MET	168	SD	13	1	8[C], 1[O], 4[N],
MET	168	CB	2	1	1[O], 1[C],
PHE	170	CZ	14	1	2[P], 5[C], 7[O],
PHE	170	CD2	4	1	2[O], 2[C],
PHE	170	CG	1	1	1[O],
PHE	170	CE2	10	1	5[O], 4[C], 1[P],
PHE	170	CD1	3	1	3[O],
PHE	170	CE1	11	1	2[P], 3[C], 6[O],
Total = 76


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