Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C6_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 C6_S1
Complex: BLG_A_2(5MPQ) / Model_1(5MPQ/A) = [5.1]	Download	2122.56	28.04	MKNSVQYLFSCLLGMTTFSVGITPTSAGQMYIYQDKNGSTLLTNRKSYDHSLKKVKVTYYPDSNIHSYSNWGTSEASVLPSYSKNKNAFDHIIKQAAQQHGVSEGLIKAVMHTESGFNVNVRSPVGAQGLMQLMPATARRFNVSNAYDPQQNIFAGAKYLSWLLKRFNGNTQMALAAYNAGEGNVDKYGGIPPFRETQDYVRRVTSRYQNLYSSGVGLSSFSNSSISAQAINQPAIPHSTSTQVSAQPIKYSSSRQIVTLPDGTYTDAPTGTYVTNNATAIAHIRIE
Consensus [pKd Mean = 5.10]	-	2122 (s=0)	28 (s=0)	MKNSVQYLFSCLLGMTTFSVGITPTSAGQMYIYQDKNGSTLLTNRKSYDHSLKKVKVTYYPDSNIHSYSNWGTSEASVLPSYSKNKNAFDHIIKQAAQQHGVSEGLIKAVMHTESGFNVNVRSPVGAQGLMQLMPATARRFNVSNAYDPQQNIFAGAKYLSWLLKRFNGNTQMALAAYNAGEGNVDKYGGIPPFRETQDYVRRVTSRYQNLYSSGVGLSSFSNSSISAQAINQPAIPHSTSTQVSAQPIKYSSSRQIVTLPDGTYTDAPTGTYVTNNATAIAHIRIE

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
VAL	110	CG1	3	1	1[O], 2[C],
THR	113	CG2	1	1	1[O],
GLU	114	CG	7	1	1[O], 5[C], 1[N],
GLU	114	OE2	17	1	3[N], 10[C], 4[O],
GLU	114	OE1	19	1	3[N], 4[O], 11[C], 1[S],
GLU	114	CD	16	1	10[C], 3[O], 3[N],
VAL	121	CG2	2	1	2[O],
SER	123	OG	17	1	8[C], 6[O], 2[N], 1[S],
PRO	124	CG	10	1	1[S], 1[N], 4[O], 4[C],
PRO	124	CD	12	1	2[N], 5[C], 4[O], 1[S],
VAL	125	CG1	14	1	5[O], 6[C], 2[N], 1[S],
VAL	125	CG2	22	1	1[S], 12[C], 7[O], 2[N],
MET	131	CG	1	1	1[C],
MET	131	CE	1	1	1[C],
GLN	132	CD	15	1	4[O], 8[C], 2[N], 1[S],
GLN	132	OE1	17	1	8[C], 6[O], 2[N], 1[S],
GLN	132	NE2	8	1	2[O], 5[C], 1[N],
GLN	132	CG	17	1	2[N], 5[O], 9[C], 1[S],
LEU	133	CG	11	1	7[C], 3[O], 1[N],
LEU	133	CD1	13	1	9[C], 3[O], 1[N],
LEU	133	CD2	4	1	1[N], 2[C], 1[O],
MET	134	CE	23	1	14[C], 6[O], 3[N],
MET	134	SD	27	1	16[C], 8[O], 3[N],
MET	134	CG	28	1	3[N], 14[C], 10[O], 1[S],
PRO	135	CD	3	1	1[C], 2[O],
THR	137	CG2	17	1	1[S], 1[N], 7[C], 8[O],
THR	137	OG1	23	1	1[N], 12[C], 9[O], 1[S],
ARG	140	CZ	8	1	2[C], 5[O], 1[S],
ARG	140	CG	2	1	2[O],
ARG	140	CD	5	1	4[O], 1[S],
ARG	140	NE	6	1	5[O], 1[S],
TYR	159	CD1	10	1	4[O], 5[C], 1[N],
TYR	159	CE1	14	1	5[O], 7[C], 1[N], 1[S],
TYR	159	CE2	22	1	1[N], 9[O], 11[C], 1[S],
TYR	159	CG	10	1	1[N], 6[C], 3[O],
TYR	159	CZ	18	1	8[O], 8[C], 1[N], 1[S],
TYR	159	CD2	19	1	10[C], 7[O], 1[N], 1[S],
LEU	163	CD1	14	1	1[S], 7[C], 5[O], 1[N],
LEU	163	CG	10	1	4[O], 5[C], 1[N],
LEU	163	CD2	11	1	1[N], 5[C], 4[O], 1[S],
PHE	167	CE2	1	1	1[O],
PHE	167	CZ	2	1	2[O],
TYR	178	CE1	17	1	2[N], 5[O], 10[C],
TYR	178	CD1	18	1	2[N], 5[O], 11[C],
TYR	178	CD2	13	1	4[O], 8[C], 1[N],
TYR	178	CZ	14	1	8[C], 4[O], 2[N],
TYR	178	CG	15	1	2[N], 5[O], 8[C],
TYR	178	CE2	13	1	4[O], 8[C], 1[N],
ASN	179	CG	21	1	4[O], 14[C], 3[N],
ASN	179	OD1	19	1	12[C], 4[O], 3[N],
ASN	179	ND2	21	1	3[N], 4[O], 14[C],
GLU	182	CG	5	1	1[S], 4[O],
GLU	182	CD	3	1	2[O], 1[S],
GLU	182	OE1	1	1	1[O],
GLU	182	OE2	3	1	2[O], 1[S],
ASN	184	ND2	9	1	1[S], 5[O], 3[C],
ASN	184	CG	6	1	1[S], 2[C], 3[O],
ASN	184	OD1	5	1	1[S], 3[O], 1[C],
PHE	194	CE2	2	1	2[C],
PHE	194	CD2	1	1	1[C],
GLU	196	OE1	18	1	1[S], 7[O], 8[C], 2[N],
GLU	196	OE2	20	1	1[S], 2[N], 10[C], 7[O],
GLU	196	CD	19	1	1[S], 9[C], 7[O], 2[N],
GLU	196	CG	14	1	1[S], 7[C], 4[O], 2[N],
THR	197	CG2	1	1	1[O],
THR	197	OG1	6	1	5[C], 1[O],
TYR	200	CE2	6	1	1[O], 4[C], 1[N],
TYR	200	CD2	5	1	1[N], 3[C], 1[O],
TYR	200	CZ	6	1	1[O], 4[C], 1[N],
TYR	200	CD1	9	1	1[O], 6[C], 2[N],
TYR	200	CE1	9	1	1[O], 6[C], 2[N],
TYR	200	CG	6	1	1[N], 4[C], 1[O],
VAL	204	CG2	1	1	1[O],
Total = 73


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