Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C3_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 C3_S1
Complex: F6P_B_4(3BXH) / Model_21(3BXH/B) = [5.8]	Download	380.99	5.91	MGRFKSTLDVKCPTKEIAMLDEIKMIESVAPDIIEVLQERYKILRNIYWMQPIGRRSLSESMGITERVLRTETDLLKNLNLIDTSKSGMTLTTKGEEVYQSLENFMDQLLGTHQTEQQLAEYFGNQRCIVVSGNSEEQTKVADAFGEALSEALDRLLPEGENIIAVMGGTTMAVVAEQLSNLENKKRHNLFVPARGGIGEAITVQANSVSARMAAKANGNHRALYVPEQLSLATYNSLLNEPSIQEVLNLISEANCVIHSIGRALHMAARRKMTEKELVMLKQANAVAESFGYFFNEKGEVVYKVPRIGIELQDLEKVPIIMAIAGGKSKAKAIRAYMKNAPKQTWLITDEAAANEILKGVTL
Consensus [pKd Mean = 5.80]	-	380 (s=0)	5 (s=0)	MGRFKSTLDVKCPTKEIAMLDEIKMIESVAPDIIEVLQERYKILRNIYWMQPIGRRSLSESMGITERVLRTETDLLKNLNLIDTSKSGMTLTTKGEEVYQSLENFMDQLLGTHQTEQQLAEYFGNQRCIVVSGNSEEQTKVADAFGEALSEALDRLLPEGENIIAVMGGTTMAVVAEQLSNLENKKRHNLFVPARGGIGEAITVQANSVSARMAAKANGNHRALYVPEQLSLATYNSLLNEPSIQEVLNLISEANCVIHSIGRALHMAARRKMTEKELVMLKQANAVAESFGYFFNEKGEVVYKVPRIGIELQDLEKVPIIMAIAGGKSKAKAIRAYMKNAPKQTWLITDEAAANEILKGVTL

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
GLU	136	OE2	1	1	1[O],
MET	167	CG	11	1	6[C], 5[O],
MET	167	CE	11	1	6[C], 5[O],
MET	167	SD	8	1	4[C], 4[O],
THR	170	CG2	8	1	2[C], 1[P], 5[O],
THR	170	OG1	8	1	1[P], 5[O], 2[C],
THR	171	OG1	10	1	6[O], 1[P], 3[C],
THR	171	CG2	6	1	4[O], 1[P], 1[C],
MET	172	CG	13	1	1[P], 6[O], 6[C],
MET	172	CE	4	1	1[P], 2[O], 1[C],
MET	172	SD	2	1	2[O],
VAL	174	CG2	1	1	1[O],
ARG	195	CD	1	1	1[O],
ILE	198	CD1	12	1	6[C], 6[O],
ILE	198	CG2	7	1	4[O], 3[C],
ILE	198	CG1	10	1	5[O], 5[C],
GLU	200	CD	14	1	6[C], 1[P], 7[O],
GLU	200	CG	12	1	6[O], 6[C],
GLU	200	OE2	16	1	9[O], 1[P], 6[C],
GLU	200	OE1	14	1	6[C], 7[O], 1[P],
VAL	204	CG2	7	1	4[O], 3[C],
VAL	204	CG1	8	1	1[P], 5[O], 2[C],
GLN	205	CG	2	1	1[C], 1[O],
VAL	209	CG2	3	1	2[O], 1[C],
HIS	259	CE1	2	1	2[O],
HIS	259	ND1	6	1	3[C], 3[O],
HIS	259	CG	5	1	2[O], 3[C],
SER	260	OG	16	1	9[O], 1[P], 6[C],
ILE	261	CG2	6	1	4[C], 2[O],
ILE	261	CG1	7	1	4[C], 3[O],
HIS	266	CG	6	1	1[C], 1[P], 4[O],
HIS	266	CD2	10	1	1[P], 6[O], 3[C],
HIS	266	NE2	7	1	2[C], 1[P], 4[O],
HIS	266	CE1	4	1	1[P], 3[O],
HIS	266	ND1	2	1	2[O],
MET	267	SD	16	1	6[C], 9[O], 1[P],
MET	267	CG	16	1	9[O], 1[P], 6[C],
MET	267	CE	16	1	9[O], 1[P], 6[C],
ARG	270	CG	6	1	1[P], 4[O], 1[C],
ARG	270	NE	15	1	1[P], 8[O], 6[C],
ARG	270	CD	11	1	1[P], 6[O], 4[C],
ARG	270	CZ	16	1	9[O], 1[P], 6[C],
ARG	271	CG	9	1	5[C], 4[O],
ARG	271	CD	9	1	5[C], 4[O],
ARG	271	NE	12	1	6[O], 6[C],
ARG	271	CZ	12	1	6[C], 6[O],
GLU	289	CD	12	1	6[O], 6[C],
GLU	289	OE2	11	1	6[C], 5[O],
GLU	289	CG	11	1	5[O], 6[C],
GLU	289	OE1	13	1	6[O], 1[P], 6[C],
SER	290	OG	4	1	2[O], 2[C],
PHE	291	CE2	1	1	1[O],
PHE	291	CD1	6	1	3[O], 3[C],
PHE	291	CD2	1	1	1[O],
PHE	291	CZ	1	1	1[O],
PHE	291	CG	6	1	2[O], 4[C],
PHE	291	CE1	1	1	1[O],
PHE	294	CD2	1	1	1[O],
PHE	294	CZ	1	1	1[O],
PHE	294	CE2	1	1	1[O],
ARG	307	CD	1	1	1[O],
ARG	307	NE	3	1	1[C], 2[O],
ARG	307	CZ	4	1	2[C], 2[O],
ILE	324	CG2	1	1	1[O],
SER	329	OG	1	1	1[O],
LYS	330	NZ	13	1	1[P], 7[O], 5[C],
LYS	330	CE	10	1	1[P], 6[O], 3[C],
LYS	330	CD	9	1	5[O], 1[P], 3[C],
LYS	330	CG	5	1	1[C], 3[O], 1[P],
Total = 69


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