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: EPE_B_15(4EQB) / Model_21(4EQB/B) = [3.1]	Download	929.31	3.15	MKKLQSLFLGILIIIAVLLLGVRQLEKTSGMSGAKVLTIYNWGDYIDPSLITKFEKEYGYKVNYETFDSNEAMFTKIQQGGTNYDIAIPSEYMIQKMIKEKLVLPLDHSKIKGLNNIDPRFLDLDFDPDNQYSIPYFWGTLGIVYNDKFFDANQIKHWDDLWKPELKDSLMLIDGAREVMGLSLNSLGYSLNSKNMAQLTEAANKLNHLTPNVKAIVADEIKMYMINEEASVAVTFSGEAADMMWENEHLHYVIPPEGSNLWFDNIVMPKTVKNKEGAYDFINFMLEPENAAQNAEYIGYSTPNEEAKALLPKDISSDEQFYPSDDTISHLEVYKDLGSKYLGIYNDLFLEFKMYRR
Consensus [pKd Mean = 3.10]	-	929 (s=0)	3 (s=0)	MKKLQSLFLGILIIIAVLLLGVRQLEKTSGMSGAKVLTIYNWGDYIDPSLITKFEKEYGYKVNYETFDSNEAMFTKIQQGGTNYDIAIPSEYMIQKMIKEKLVLPLDHSKIKGLNNIDPRFLDLDFDPDNQYSIPYFWGTLGIVYNDKFFDANQIKHWDDLWKPELKDSLMLIDGAREVMGLSLNSLGYSLNSKNMAQLTEAANKLNHLTPNVKAIVADEIKMYMINEEASVAVTFSGEAADMMWENEHLHYVIPPEGSNLWFDNIVMPKTVKNKEGAYDFINFMLEPENAAQNAEYIGYSTPNEEAKALLPKDISSDEQFYPSDDTISHLEVYKDLGSKYLGIYNDLFLEFKMYRR

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ASN	41	CG	2	1	2[C],
ASN	41	OD1	3	1	1[N], 2[C],
ASN	41	ND2	1	1	1[C],
TRP	42	CZ3	13	1	2[N], 1[S], 3[O], 7[C],
TRP	42	CG	12	1	3[O], 6[C], 1[S], 2[N],
TRP	42	CE3	13	1	7[C], 3[O], 2[N], 1[S],
TRP	42	CD1	12	1	1[S], 2[N], 6[C], 3[O],
TRP	42	CE2	13	1	7[C], 3[O], 2[N], 1[S],
TRP	42	CZ2	15	1	1[S], 2[N], 8[C], 4[O],
TRP	42	CD2	13	1	3[O], 7[C], 1[S], 2[N],
TRP	42	NE1	13	1	1[S], 2[N], 7[C], 3[O],
ASP	44	OD2	1	1	1[O],
ASP	44	CG	1	1	1[O],
TYR	45	CE2	12	1	2[N], 1[S], 3[O], 6[C],
TYR	45	CG	10	1	3[O], 5[C], 1[S], 1[N],
TYR	45	CE1	12	1	1[S], 2[N], 6[C], 3[O],
TYR	45	CD1	11	1	1[S], 1[N], 6[C], 3[O],
TYR	45	CZ	13	1	2[N], 1[S], 3[O], 7[C],
TYR	45	CD2	11	1	1[S], 1[N], 6[C], 3[O],
PHE	67	CZ	4	1	1[N], 3[C],
PHE	67	CE1	5	1	1[N], 4[C],
PHE	67	CD1	3	1	3[C],
ASP	68	OD1	5	1	3[O], 1[C], 1[S],
ASP	68	CG	3	1	1[S], 1[O], 1[C],
ASN	70	ND2	7	1	2[N], 1[O], 4[C],
ASN	70	CG	6	1	2[N], 3[C], 1[O],
ASN	70	OD1	10	1	2[N], 7[C], 1[O],
ILE	88	CG2	2	1	1[N], 1[C],
SER	90	OG	8	1	2[N], 1[O], 5[C],
GLU	91	OE2	6	1	1[O], 4[C], 1[N],
GLU	91	OE1	9	1	2[N], 6[C], 1[O],
GLU	91	CD	6	1	1[O], 4[C], 1[N],
GLU	91	CG	3	1	1[O], 2[C],
TYR	136	CD2	1	1	1[C],
TYR	136	CE2	1	1	1[C],
PHE	137	CE2	2	1	1[O], 1[C],
PHE	137	CG	3	1	2[C], 1[O],
PHE	137	CD2	4	1	1[N], 1[O], 2[C],
LEU	141	CD1	2	1	1[O], 1[C],
ILE	173	CD1	2	1	1[O], 1[C],
GLU	178	CG	2	1	1[O], 1[C],
GLU	178	OE2	3	1	2[C], 1[O],
GLU	178	OE1	1	1	1[O],
GLU	178	CD	2	1	1[O], 1[C],
LYS	222	NZ	2	1	2[O],
PHE	236	CE1	6	1	1[O], 4[C], 1[N],
PHE	236	CG	8	1	1[N], 1[O], 6[C],
PHE	236	CD1	7	1	1[O], 5[C], 1[N],
PHE	236	CZ	6	1	1[N], 1[O], 4[C],
PHE	236	CE2	6	1	1[N], 1[O], 4[C],
PHE	236	CD2	8	1	6[C], 1[O], 1[N],
SER	237	OG	5	1	1[N], 4[C],
GLU	239	CD	11	1	1[S], 1[N], 6[C], 3[O],
GLU	239	OE2	14	1	2[N], 1[S], 3[O], 8[C],
GLU	239	CG	11	1	1[N], 1[S], 3[O], 6[C],
GLU	239	OE1	4	1	3[O], 1[S],
ASP	242	OD1	4	1	3[O], 1[S],
ASP	242	OD2	5	1	1[S], 3[O], 1[C],
ASP	242	CG	4	1	1[S], 3[O],
ASN	260	OD1	3	1	2[C], 1[O],
ASN	260	CG	2	1	1[C], 1[O],
ASN	260	ND2	2	1	1[O], 1[C],
TRP	262	CG	9	1	2[N], 6[C], 1[O],
TRP	262	CE3	13	1	2[N], 3[O], 8[C],
TRP	262	CE2	12	1	2[N], 3[O], 7[C],
TRP	262	CD1	9	1	2[N], 6[C], 1[O],
TRP	262	CD2	11	1	2[N], 2[O], 7[C],
TRP	262	CZ2	14	1	1[S], 2[N], 8[C], 3[O],
TRP	262	NE1	9	1	1[O], 6[C], 2[N],
TRP	262	CZ3	14	1	2[N], 1[S], 3[O], 8[C],
ASP	264	OD2	15	1	1[S], 2[N], 8[C], 4[O],
ASP	264	CG	15	1	8[C], 4[O], 1[S], 2[N],
ASP	264	OD1	14	1	3[O], 8[C], 2[N], 1[S],
ILE	298	CD1	1	1	1[O],
ILE	298	CG2	7	1	1[S], 3[C], 3[O],
ILE	298	CG1	1	1	1[O],
TYR	300	CG	9	1	3[O], 4[C], 1[S], 1[N],
TYR	300	CE2	14	1	2[N], 1[S], 3[O], 8[C],
TYR	300	CD2	13	1	2[N], 1[S], 3[O], 7[C],
TYR	300	CZ	12	1	1[S], 2[N], 6[C], 3[O],
TYR	300	CE1	9	1	1[N], 1[S], 3[O], 4[C],
TYR	300	CD1	9	1	1[N], 1[S], 3[O], 4[C],
TYR	334	CG	1	1	1[O],
TYR	334	CZ	1	1	1[O],
TYR	334	CE2	2	1	1[O], 1[C],
TYR	334	CD2	2	1	1[O], 1[C],
Total = 86


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