Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: EPU_A_3(2YVW) / Model_14(2YVW/A) = [7.2]	Download	1579.64	16.37	MDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
Complex: UD1_D_4(1UAE) / Model_5(1UAE/A) = [6.8]	Download	1366.27	14.67	MDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
Complex: 0V5_A_11(5U4H) / Model_1(5U4H/A) = [3.5]	Download	616.27	11.05	MDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
Complex: FCN_G_7(1UAE) / Model_5(1UAE/A) = [3.1]	Download	403.44	-3.82	MDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
Consensus [pKd Mean = 5.15]	-	991 (s=493)	9 (s=7)	MDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LYS	22	CG	22	4	2[N], 10[C], 9[O], 1[P],
LYS	22	NZ	39	4	19[C], 2[N], 2[P], 16[O],
LYS	22	CE	29	4	12[O], 1[P], 2[N], 14[C],
LYS	22	CD	24	4	2[N], 11[C], 1[P], 10[O],
ASN	23	CG	45	4	22[C], 2[N], 2[P], 19[O],
ASN	23	OD1	42	4	20[C], 2[N], 18[O], 2[P],
ASN	23	ND2	47	4	22[C], 2[N], 3[P], 20[O],
LEU	26	CD2	13	4	7[C], 1[N], 5[O],
LEU	26	CG	11	4	5[O], 2[N], 4[C],
LEU	26	CD1	16	4	8[O], 1[P], 6[C], 1[N],
PRO	27	CG	7	4	1[N], 4[C], 2[O],
PRO	27	CD	8	4	2[O], 4[C], 2[N],
ASP	49	CG	16	4	5[C], 2[P], 9[O],
ASP	49	OD1	13	4	8[O], 2[P], 3[C],
ASP	49	OD2	29	4	2[N], 10[C], 2[P], 15[O],
LEU	53	CD1	1	4	1[C],
VAL	88	CG1	1	4	1[O],
THR	90	CG2	2	4	2[O],
MET	91	CG	14	4	4[C], 2[P], 8[O],
MET	91	SD	8	4	2[C], 5[O], 1[P],
MET	91	CE	2	4	1[C], 1[O],
ARG	92	CZ	38	4	15[C], 3[N], 17[O], 3[P],
ARG	92	CD	45	4	20[O], 5[P], 2[N], 18[C],
ARG	92	NE	46	4	17[C], 3[N], 21[O], 5[P],
ARG	92	CG	48	4	23[O], 5[P], 18[C], 2[N],
SER	94	OG	1	4	1[O],
ILE	95	CG1	1	4	1[O],
ILE	95	CD1	1	4	1[O],
ILE	95	CG2	10	4	4[C], 1[P], 5[O],
LEU	96	CD1	9	4	4[O], 4[C], 1[N],
LEU	96	CG	9	4	4[O], 1[N], 4[C],
LEU	96	CD2	7	4	3[C], 4[O],
PRO	113	CG	3	4	1[C], 2[O],
CYS	116	SG	28	4	13[O], 2[P], 12[C], 1[N],
ILE	118	CG2	21	4	9[O], 12[C],
ILE	118	CG1	34	4	18[O], 2[P], 14[C],
ILE	118	CD1	34	4	15[C], 1[N], 15[O], 3[P],
SER	120	OG	19	4	9[O], 1[P], 2[N], 7[C],
ARG	121	CZ	69	4	2[N], 31[C], 31[O], 5[P],
ARG	121	NE	74	4	31[O], 5[P], 34[C], 4[N],
ARG	121	CD	51	4	1[N], 22[C], 5[P], 23[O],
ARG	121	CG	44	4	18[C], 3[N], 19[O], 4[P],
PRO	122	CD	33	4	12[O], 4[N], 17[C],
PRO	122	CG	31	4	4[N], 16[C], 11[O],
VAL	123	CG2	10	4	2[O], 6[C], 2[N],
VAL	123	CG1	21	4	4[N], 8[C], 8[O], 1[P],
ASP	124	CG	22	4	7[O], 11[C], 4[N],
ASP	124	OD2	19	4	5[O], 4[N], 10[C],
ASP	124	OD1	24	4	8[O], 12[C], 4[N],
GLN	125	CG	25	4	8[O], 13[C], 4[N],
GLN	125	CD	29	4	1[P], 10[O], 4[N], 14[C],
GLN	125	NE2	28	4	10[O], 1[P], 13[C], 4[N],
GLN	125	OE1	28	4	13[C], 4[N], 10[O], 1[P],
HIS	126	CD2	29	4	9[C], 4[N], 12[O], 4[P],
HIS	126	NE2	35	4	4[N], 10[C], 17[O], 4[P],
HIS	126	CE1	25	4	3[N], 6[C], 4[P], 12[O],
HIS	126	ND1	15	4	8[O], 6[C], 1[N],
HIS	126	CG	17	4	7[O], 7[C], 3[N],
LEU	127	CD1	2	4	2[O],
LEU	127	CG	2	4	2[O],
PHE	159	CD1	4	4	1[O], 3[C],
PHE	159	CE1	3	4	1[O], 2[C],
ASP	160	OD1	3	4	1[O], 1[C], 1[N],
MET	161	SD	35	4	1[P], 12[O], 4[N], 18[C],
MET	161	CG	29	4	10[O], 1[P], 14[C], 4[N],
MET	161	CE	29	4	16[C], 4[N], 9[O],
VAL	162	CG1	14	4	8[O], 2[P], 4[C],
VAL	162	CG2	2	4	2[O],
THR	163	CG2	50	4	4[N], 20[C], 4[P], 22[O],
THR	163	OG1	51	4	20[C], 4[N], 23[O], 4[P],
VAL	164	CG2	49	4	2[N], 19[C], 24[O], 4[P],
VAL	164	CG1	47	4	4[P], 24[O], 2[N], 17[C],
THR	167	OG1	4	4	4[O],
GLU	168	OE2	19	4	1[P], 8[O], 8[C], 2[N],
GLU	168	OE1	20	4	2[P], 8[O], 8[C], 2[N],
GLU	168	CG	8	4	4[C], 4[O],
GLU	168	CD	20	4	8[C], 2[N], 8[O], 2[P],
GLU	189	OE1	13	4	6[O], 1[P], 6[C],
GLU	189	OE2	21	4	10[O], 2[P], 9[C],
GLU	189	CD	18	4	1[P], 7[O], 10[C],
GLU	189	CG	19	4	8[O], 11[C],
GLU	191	CD	9	4	4[C], 5[O],
GLU	191	OE2	2	4	2[O],
GLU	191	OE1	15	4	1[N], 8[C], 6[O],
GLU	191	CG	9	4	2[O], 2[N], 5[C],
ILE	192	CG1	3	4	3[O],
ILE	192	CD1	7	4	7[O],
ASP	232	OD2	1	4	1[O],
ARG	233	CZ	7	4	3[O], 4[C],
ARG	233	NE	2	4	2[O],
ILE	234	CG1	13	4	8[O], 5[C],
ILE	234	CG2	4	4	4[O],
ILE	234	CD1	8	4	6[O], 2[C],
PRO	299	CD	2	4	1[O], 1[C],
PRO	299	CG	7	4	3[C], 4[O],
PRO	304	CG	2	4	2[O],
THR	305	OG1	15	4	10[C], 5[O],
THR	305	CG2	40	4	21[C], 16[O], 3[P],
ASP	306	CG	41	4	2[N], 20[C], 1[P], 18[O],
ASP	306	OD2	47	4	20[O], 3[P], 22[C], 2[N],
ASP	306	OD1	45	4	21[O], 1[P], 21[C], 2[N],
GLU	326	OE2	6	4	5[O], 1[C],
GLU	326	OE1	1	4	1[O],
GLU	326	CD	1	4	1[O],
GLU	326	CG	1	4	1[O],
ILE	328	CG1	26	4	11[C], 13[O], 2[P],
ILE	328	CD1	26	4	13[O], 2[P], 11[C],
ILE	328	CG2	51	4	4[P], 24[O], 21[C], 2[N],
PHE	329	CD2	61	4	4[P], 28[O], 29[C],
PHE	329	CD1	62	4	4[P], 28[O], 28[C], 2[N],
PHE	329	CE2	73	4	5[P], 35[O], 31[C], 2[N],
PHE	329	CZ	81	4	36[C], 4[N], 36[O], 5[P],
PHE	329	CE1	79	4	35[C], 4[N], 34[O], 6[P],
PHE	329	CG	54	4	25[C], 4[P], 25[O],
GLU	330	OE1	17	4	9[C], 1[N], 7[O],
GLU	330	OE2	12	4	5[O], 7[C],
GLU	330	CG	4	4	1[C], 3[O],
GLU	330	CD	12	4	7[C], 5[O],
ASN	331	ND2	2	4	2[O],
ARG	332	NE	20	4	7[O], 13[C],
ARG	332	CZ	29	4	1[P], 12[O], 16[C],
ARG	332	CD	10	4	4[O], 6[C],
ARG	332	CG	6	4	3[C], 3[O],
MET	334	CE	1	4	1[O],
ASP	370	CG	9	4	6[C], 3[O],
ASP	370	OD1	12	4	5[O], 7[C],
ASP	370	OD2	6	4	4[C], 2[O],
LEU	371	CD2	24	4	11[O], 1[P], 10[C], 2[N],
LEU	371	CD1	17	4	10[C], 1[N], 5[O], 1[P],
LEU	371	CG	19	4	10[O], 1[P], 1[N], 7[C],
ARG	372	CD	17	4	7[O], 1[N], 9[C],
ARG	372	NE	16	4	9[C], 6[O], 1[P],
ARG	372	CZ	14	4	8[C], 6[O],
ARG	372	CG	17	4	7[O], 10[C],
HIS	395	ND1	1	4	1[O],
HIS	395	CE1	1	4	1[O],
ARG	398	CD	15	4	10[O], 2[P], 3[C],
ARG	398	NE	20	4	6[C], 12[O], 2[P],
ARG	398	CG	9	4	2[C], 5[O], 2[P],
ARG	398	CZ	25	4	2[P], 12[O], 1[N], 10[C],
Total = 140


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