Atome 2 Filter

Binding Site Prediction
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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: ARG_A_2(4I62) / Model_1(4I62/A) = [5.6]	Download	687.69	21.38	MKKVLMTMFGLVMLPLLFACSNNQSAGIEAIKSKGKLVVALNPDFAPFEYQKVVDGKNQIVGSDIELAKAIATELGVELELSPMSFDNVLASVQSGKADLAISGVSKTDERSKVFDFSTPYYTAKNKLIVKKSDLATYQSVNDLAQKKVGAQKGSIQETMAKDLLQNSSLVSLPKNGNLITDLKSGQVDAVIFEEPVAKGFVENNPDLAIADLNFEKEQDDSYAVAMKKDSKELKEAVDKTIQKLKESGELDKLIEDAFKASIEK
Consensus [pKd Mean = 5.60]	-	687 (s=0)	21 (s=0)	MKKVLMTMFGLVMLPLLFACSNNQSAGIEAIKSKGKLVVALNPDFAPFEYQKVVDGKNQIVGSDIELAKAIATELGVELELSPMSFDNVLASVQSGKADLAISGVSKTDERSKVFDFSTPYYTAKNKLIVKKSDLATYQSVNDLAQKKVGAQKGSIQETMAKDLLQNSSLVSLPKNGNLITDLKSGQVDAVIFEEPVAKGFVENNPDLAIADLNFEKEQDDSYAVAMKKDSKELKEAVDKTIQKLKESGELDKLIEDAFKASIEK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LEU	41	CG	1	1	1[C],
ASN	42	ND2	3	1	1[N], 2[C],
ASN	42	OD1	4	1	3[C], 1[N],
ASN	42	CG	4	1	3[C], 1[N],
PRO	43	CD	1	1	1[C],
ASP	44	CG	1	1	1[C],
ASP	44	OD2	1	1	1[C],
PHE	45	CD1	8	1	2[N], 6[C],
PHE	45	CG	7	1	5[C], 2[N],
PHE	45	CZ	10	1	2[O], 6[C], 2[N],
PHE	45	CE2	10	1	6[C], 2[N], 2[O],
PHE	45	CE1	10	1	6[C], 2[N], 2[O],
PHE	45	CD2	9	1	1[O], 6[C], 2[N],
PHE	48	CD2	3	1	1[N], 2[C],
PHE	48	CG	2	1	1[C], 1[N],
GLU	49	OE1	3	1	2[C], 1[N],
GLU	49	CG	3	1	1[N], 2[C],
GLU	49	OE2	5	1	1[N], 4[C],
GLU	49	CD	4	1	1[N], 3[C],
ASP	64	OD2	2	1	1[N], 1[C],
PHE	86	CG	10	1	2[O], 2[N], 6[C],
PHE	86	CE2	10	1	2[O], 2[N], 6[C],
PHE	86	CD2	10	1	2[O], 2[N], 6[C],
PHE	86	CD1	10	1	6[C], 2[N], 2[O],
PHE	86	CZ	10	1	2[O], 2[N], 6[C],
PHE	86	CE1	10	1	2[N], 6[C], 2[O],
VAL	89	CG1	2	1	1[C], 1[N],
VAL	89	CG2	3	1	2[C], 1[N],
LEU	90	CG	3	1	1[C], 2[O],
LEU	90	CD2	1	1	1[O],
LEU	90	CD1	3	1	1[C], 2[O],
SER	103	OG	6	1	1[O], 4[C], 1[N],
VAL	105	CG1	9	1	2[N], 5[C], 2[O],
VAL	105	CG2	10	1	2[O], 6[C], 2[N],
SER	106	OG	9	1	2[N], 5[C], 2[O],
THR	108	OG1	2	1	2[O],
THR	108	CG2	4	1	2[C], 2[O],
ARG	111	CZ	8	1	5[C], 1[N], 2[O],
ARG	111	NE	6	1	2[O], 1[N], 3[C],
ARG	111	CD	4	1	2[O], 2[C],
ARG	111	CG	3	1	2[O], 1[C],
PHE	117	CE1	1	1	1[O],
PHE	117	CZ	1	1	1[O],
ASN	126	CG	2	1	1[N], 1[C],
ASN	126	ND2	1	1	1[N],
ASN	126	OD1	3	1	1[N], 2[C],
GLN	152	CD	8	1	1[N], 6[C], 1[O],
GLN	152	CG	7	1	1[N], 5[C], 1[O],
GLN	152	NE2	5	1	1[N], 4[C],
GLN	152	OE1	10	1	6[C], 2[N], 2[O],
SER	155	OG	9	1	2[O], 5[C], 2[N],
ILE	156	CG1	8	1	2[O], 5[C], 1[N],
ILE	156	CD1	7	1	1[N], 4[C], 2[O],
ILE	156	CG2	7	1	4[C], 1[N], 2[O],
GLN	157	CG	8	1	1[N], 5[C], 2[O],
GLN	157	OE1	9	1	2[N], 5[C], 2[O],
GLN	157	CD	8	1	5[C], 1[N], 2[O],
GLN	157	NE2	8	1	2[O], 5[C], 1[N],
THR	159	OG1	1	1	1[O],
ASN	176	OD1	5	1	1[N], 4[C],
ASN	176	ND2	5	1	1[N], 4[C],
ASN	176	CG	5	1	1[N], 4[C],
PHE	193	CD1	3	1	3[C],
PHE	193	CE1	2	1	2[C],
GLU	194	CD	9	1	5[C], 2[N], 2[O],
GLU	194	OE1	10	1	2[O], 2[N], 6[C],
GLU	194	CG	8	1	1[N], 5[C], 2[O],
GLU	194	OE2	9	1	2[N], 5[C], 2[O],
VAL	197	CG2	6	1	2[N], 4[C],
VAL	197	CG1	5	1	4[C], 1[N],
ASP	221	OD2	6	1	2[O], 3[C], 1[N],
ASP	221	CG	6	1	2[O], 1[N], 3[C],
ASP	221	OD1	7	1	2[O], 1[N], 4[C],
TYR	223	CZ	10	1	6[C], 2[N], 2[O],
TYR	223	CE2	8	1	1[O], 5[C], 2[N],
TYR	223	CG	6	1	1[O], 4[C], 1[N],
TYR	223	CD2	7	1	2[N], 4[C], 1[O],
TYR	223	CE1	9	1	5[C], 2[N], 2[O],
TYR	223	CD1	9	1	2[N], 5[C], 2[O],
Total = 79


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