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: ATP_E_5(2FGK) / Model_51(2FGK/A) = [6.9]	Download	1149.25	3.71	MQNKQEQWTVLKRLMSYLKPYGLLTFLALSFLLATTVIKSVIPLVASHFIDQYLSNLNQLAVTVLLVYYGLYILQTVVQYVGNLLFARVSYSIVRDIRRDAFANMEKLGMSYFDKTPAGSIVSRLTNDTETISDMFSGILSSFISAVFIFLTTLYTMLVLDFRLTALVLLFLPLIFLLVNLYRKKSVKIIEKTRSLLSDINSKLAENIEGIRIIQAFNQEKRLQAEFDEINQEHLAYANRSVALDALFLRPAMSLLKLLGYAVLMTYFGYRGLSIGITAGTMYAFIQYINRLFDPLIEVTQNFSTLQTSMVSAGRVFALIDERTYEPLQENGQAKVKEGNIRFEHVCFSYDGKHPILDDISFSVNKGETIAFVGHTGSGKSSIINVLMRFYEFQSGRVLLDDVDIRDFSQEELRKNIGLVLQEPFLYHGTIKSNIAMYQEISDEQVQAAAAFVDADSFIQELPQGYDSPVSERGSSFSTGQRQLLAFARTVASQPKILILDEATANIDSETESLVQASLAKMRQGRTTIAIAHRLSTIQDANCIYVLDKGRIIESGTHEELLTLGGTYHKMYSLQAGAMAYTL
Consensus [pKd Mean = 6.90]	-	1149 (s=0)	3 (s=0)	MQNKQEQWTVLKRLMSYLKPYGLLTFLALSFLLATTVIKSVIPLVASHFIDQYLSNLNQLAVTVLLVYYGLYILQTVVQYVGNLLFARVSYSIVRDIRRDAFANMEKLGMSYFDKTPAGSIVSRLTNDTETISDMFSGILSSFISAVFIFLTTLYTMLVLDFRLTALVLLFLPLIFLLVNLYRKKSVKIIEKTRSLLSDINSKLAENIEGIRIIQAFNQEKRLQAEFDEINQEHLAYANRSVALDALFLRPAMSLLKLLGYAVLMTYFGYRGLSIGITAGTMYAFIQYINRLFDPLIEVTQNFSTLQTSMVSAGRVFALIDERTYEPLQENGQAKVKEGNIRFEHVCFSYDGKHPILDDISFSVNKGETIAFVGHTGSGKSSIINVLMRFYEFQSGRVLLDDVDIRDFSQEELRKNIGLVLQEPFLYHGTIKSNIAMYQEISDEQVQAAAAFVDADSFIQELPQGYDSPVSERGSSFSTGQRQLLAFARTVASQPKILILDEATANIDSETESLVQASLAKMRQGRTTIAIAHRLSTIQDANCIYVLDKGRIIESGTHEELLTLGGTYHKMYSLQAGAMAYTL

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
PHE	348	CE2	13	1	6[C], 5[N], 2[O],
PHE	348	CD2	5	1	2[C], 2[N], 1[O],
PHE	348	CZ	8	1	4[N], 4[C],
TYR	350	CZ	23	1	7[O], 10[C], 1[P], 5[N],
TYR	350	CE1	19	1	9[C], 5[N], 1[P], 4[O],
TYR	350	CD2	22	1	5[N], 1[P], 10[C], 6[O],
TYR	350	CE2	23	1	10[C], 5[N], 1[P], 7[O],
TYR	350	CG	18	1	10[C], 5[N], 3[O],
TYR	350	CD1	15	1	5[N], 8[C], 2[O],
ASP	351	CG	2	1	1[N], 1[C],
ASP	351	OD2	2	1	1[N], 1[C],
HIS	354	ND1	8	1	4[N], 4[C],
HIS	354	CD2	3	1	1[C], 2[N],
HIS	354	CE1	7	1	3[N], 4[C],
HIS	354	NE2	3	1	2[N], 1[C],
HIS	354	CG	5	1	2[N], 3[C],
PRO	355	CG	5	1	2[O], 2[C], 1[N],
PRO	355	CD	6	1	2[O], 3[C], 1[N],
ILE	356	CD1	21	1	6[O], 1[P], 4[N], 10[C],
ILE	356	CG2	22	1	9[C], 3[N], 2[P], 8[O],
ILE	356	CG1	20	1	10[C], 4[N], 1[P], 5[O],
LEU	357	CG	4	1	2[O], 2[C],
LEU	357	CD1	1	1	1[O],
LEU	357	CD2	7	1	4[O], 1[P], 2[C],
THR	376	OG1	9	1	2[P], 7[O],
THR	376	CG2	14	1	9[O], 2[C], 3[P],
SER	378	OG	15	1	3[P], 2[C], 10[O],
LYS	380	CG	14	1	1[C], 3[P], 10[O],
LYS	380	CD	11	1	3[P], 8[O],
LYS	380	NZ	14	1	1[C], 3[P], 10[O],
LYS	380	CE	12	1	9[O], 3[P],
SER	381	OG	22	1	11[O], 6[C], 3[P], 2[N],
SER	382	OG	27	1	10[O], 5[N], 2[P], 10[C],
ILE	383	CD1	2	1	2[O],
ILE	383	CG1	2	1	2[O],
ASN	385	ND2	13	1	5[O], 3[N], 1[P], 4[C],
ASN	385	CG	6	1	1[C], 1[P], 2[N], 2[O],
ASN	385	OD1	3	1	1[P], 2[O],
TYR	391	CE1	6	1	3[N], 3[C],
TYR	391	CD2	4	1	2[C], 2[N],
TYR	391	CZ	8	1	3[N], 5[C],
TYR	391	CD1	4	1	2[N], 2[C],
TYR	391	CG	2	1	1[N], 1[C],
TYR	391	CE2	6	1	3[C], 3[N],
GLN	422	CD	10	1	7[O], 3[P],
GLN	422	OE1	13	1	10[O], 3[P],
GLN	422	CG	4	1	3[O], 1[P],
GLN	422	NE2	11	1	8[O], 3[P],
ASP	501	OD1	6	1	4[O], 2[P],
ASP	501	OD2	3	1	3[O],
ASP	501	CG	2	1	2[O],
GLU	502	CG	4	1	1[P], 3[O],
GLU	502	CD	8	1	6[O], 2[P],
GLU	502	OE2	10	1	2[P], 8[O],
GLU	502	OE1	7	1	5[O], 2[P],
ILE	531	CG2	8	1	6[O], 2[P],
ILE	531	CD1	5	1	4[O], 1[P],
ILE	531	CG1	1	1	1[O],
HIS	533	ND1	8	1	6[O], 2[P],
HIS	533	NE2	9	1	7[O], 2[P],
HIS	533	CE1	9	1	2[P], 7[O],
HIS	533	CD2	8	1	6[O], 2[P],
HIS	533	CG	8	1	2[P], 6[O],
LEU	547	CD2	1	1	1[O],
LEU	547	CD1	6	1	2[P], 4[O],
LEU	547	CG	2	1	1[O], 1[P],
Total = 66


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