Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C15_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 C15_S1
Complex: GNP_A_3(1PUJ) / Model_1(1PUJ/A) = [7.5]	Download	1234.15	5.70	MATIQWFPGHMSKARRQVQENLKFVDFVTILVDARLPLSSQNPMLTKIVGDKPKLLILNKADLADPAMTKEWRQYFESQGIQTLAINSKEQVTVKVVTDAAKKLMADKIARQKERGIQIETLRTMIIGIPNAGKSTLMNRLAGKKIAVVGNKPGVTKGQQWLKTNKDLEILDTPGILWPKFEDETVALKLALTGAIKDQLLPMDEVTIFGINYFKEHYPEKLAERFKQMKIEEEAPVIIIDMTRALGFRDDYDRFYSLFVKEVRDGKLGNYTLDTLEDLDGND
Consensus [pKd Mean = 7.50]	-	1234 (s=0)	5 (s=0)	MATIQWFPGHMSKARRQVQENLKFVDFVTILVDARLPLSSQNPMLTKIVGDKPKLLILNKADLADPAMTKEWRQYFESQGIQTLAINSKEQVTVKVVTDAAKKLMADKIARQKERGIQIETLRTMIIGIPNAGKSTLMNRLAGKKIAVVGNKPGVTKGQQWLKTNKDLEILDTPGILWPKFEDETVALKLALTGAIKDQLLPMDEVTIFGINYFKEHYPEKLAERFKQMKIEEEAPVIIIDMTRALGFRDDYDRFYSLFVKEVRDGKLGNYTLDTLEDLDGND

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LEU	31	CD1	1	1	1[O],
LEU	31	CD2	10	1	2[C], 5[O], 1[N], 2[P],
LEU	31	CG	2	1	1[N], 1[O],
ARG	35	NE	2	1	1[N], 1[C],
ARG	35	CZ	4	1	1[C], 2[N], 1[O],
ASN	59	ND2	12	1	6[C], 1[O], 5[N],
ASN	59	OD1	24	1	2[P], 10[C], 7[O], 5[N],
ASN	59	CG	15	1	4[O], 5[N], 6[C],
LYS	60	NZ	27	1	2[P], 10[C], 9[O], 6[N],
LYS	60	CG	19	1	5[N], 4[O], 10[C],
LYS	60	CD	21	1	5[N], 6[O], 10[C],
LYS	60	CE	26	1	2[P], 10[C], 9[O], 5[N],
ASP	62	OD2	12	1	1[O], 5[N], 6[C],
ASP	62	OD1	12	1	5[N], 1[O], 6[C],
ASP	62	CG	10	1	4[C], 1[O], 5[N],
LEU	63	CD1	15	1	8[C], 5[N], 2[O],
LEU	63	CD2	9	1	4[C], 1[O], 4[N],
LEU	63	CG	12	1	5[N], 2[O], 5[C],
ILE	86	CG1	5	1	2[C], 2[N], 1[O],
ILE	86	CG2	1	1	1[O],
ILE	86	CD1	4	1	1[N], 1[O], 2[C],
ASN	87	ND2	9	1	4[C], 4[N], 1[O],
ASN	87	CG	11	1	5[C], 1[O], 5[N],
ASN	87	OD1	13	1	6[C], 2[O], 5[N],
SER	88	OG	12	1	6[C], 2[O], 4[N],
LYS	89	CE	13	1	2[O], 4[N], 7[C],
LYS	89	CG	16	1	5[N], 3[O], 8[C],
LYS	89	NZ	12	1	2[O], 4[N], 6[C],
LYS	89	CD	17	1	5[N], 4[O], 8[C],
GLU	90	CG	5	1	2[C], 1[O], 2[N],
GLU	90	CD	2	1	2[N],
GLU	90	OE2	1	1	1[N],
THR	93	OG1	1	1	1[O],
ILE	126	CG2	3	1	1[P], 2[O],
ILE	129	CG1	2	1	2[O],
PRO	130	CD	7	1	1[N], 4[O], 2[P],
PRO	130	CG	7	1	1[N], 4[O], 2[P],
ASN	131	ND2	23	1	3[P], 6[C], 12[O], 2[N],
ASN	131	OD1	25	1	7[C], 11[O], 4[N], 3[P],
ASN	131	CG	23	1	2[N], 12[O], 6[C], 3[P],
LYS	134	NZ	14	1	9[O], 1[N], 1[C], 3[P],
LYS	134	CD	11	1	3[P], 1[N], 7[O],
LYS	134	CG	13	1	9[O], 1[N], 3[P],
LYS	134	CE	12	1	8[O], 1[N], 3[P],
SER	135	OG	14	1	3[P], 1[C], 1[N], 9[O],
THR	136	CG2	24	1	1[P], 9[O], 4[N], 10[C],
THR	136	OG1	27	1	2[P], 10[C], 5[N], 10[O],
LEU	137	CD1	2	1	1[O], 1[N],
LEU	137	CG	1	1	1[N],
MET	138	SD	1	1	1[O],
MET	138	CG	2	1	2[O],
ASN	139	CG	1	1	1[O],
ASN	139	OD1	1	1	1[O],
ASN	139	ND2	4	1	1[P], 3[O],
ASP	172	OD2	8	1	2[P], 5[O], 1[N],
ASP	172	CG	6	1	2[P], 4[O],
ASP	172	OD1	8	1	2[P], 5[O], 1[N],
THR	173	OG1	1	1	1[O],
PRO	174	CD	3	1	1[P], 2[O],
PRO	174	CG	3	1	2[O], 1[P],
ILE	176	CG1	1	1	1[O],
Total = 61


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