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: UD1_D_4(1UAE) / Model_8(1UAE/A) = [7.7]	Download	1447.00	17.81	MDKIVVQGGDNRLVGSVTIEGAKNAVLPLLAATILASEGKTVLQNVPILSDVFIMNQVVGGLNAKVDFDEEAHLVKVDATGDITEEAPYKYVSKMRASIVVLGPILARVGHAKVSMPGGCTIGSRPIDLHLKGLEAMGVKISQTAGYIEAKAERLHGAHIYMDFPSVGATQNLMMAATLADGVTVIENAAREPEIVDLAILLNEMGAKVKGAGTETITITGVEKLHGTTHNVVQDRIEAGTFMVAAAMTGGDVLIRDAVWEHNRPLIAKLLEMGVEVIEEDEGIRVRSQLENLKAVHVKTLPHPGFPTDMQAQFTALMTVAKGESTMVETVFENRFQHLEEMRRMGLHSEIIRDTARIVGGQPLQGAEVLSTDLRASAALILTGLVAQGETVVGKLVHLDRGYYGFHEKLAQLGAKIQRIEANDEDE
Complex: EPU_A_3(2YVW) / Model_15(2YVW/A) = [6.9]	Download	1771.53	18.36	MDKIVVQGGDNRLVGSVTIEGAKNAVLPLLAATILASEGKTVLQNVPILSDVFIMNQVVGGLNAKVDFDEEAHLVKVDATGDITEEAPYKYVSKMRASIVVLGPILARVGHAKVSMPGGCTIGSRPIDLHLKGLEAMGVKISQTAGYIEAKAERLHGAHIYMDFPSVGATQNLMMAATLADGVTVIENAAREPEIVDLAILLNEMGAKVKGAGTETITITGVEKLHGTTHNVVQDRIEAGTFMVAAAMTGGDVLIRDAVWEHNRPLIAKLLEMGVEVIEEDEGIRVRSQLENLKAVHVKTLPHPGFPTDMQAQFTALMTVAKGESTMVETVFENRFQHLEEMRRMGLHSEIIRDTARIVGGQPLQGAEVLSTDLRASAALILTGLVAQGETVVGKLVHLDRGYYGFHEKLAQLGAKIQRIEANDEDE
Complex: 0V5_B_17(5U4H) / Model_32(5U4H/B) = [3.3]	Download	655.21	8.95	MDKIVVQGGDNRLVGSVTIEGAKNAVLPLLAATILASEGKTVLQNVPILSDVFIMNQVVGGLNAKVDFDEEAHLVKVDATGDITEEAPYKYVSKMRASIVVLGPILARVGHAKVSMPGGCTIGSRPIDLHLKGLEAMGVKISQTAGYIEAKAERLHGAHIYMDFPSVGATQNLMMAATLADGVTVIENAAREPEIVDLAILLNEMGAKVKGAGTETITITGVEKLHGTTHNVVQDRIEAGTFMVAAAMTGGDVLIRDAVWEHNRPLIAKLLEMGVEVIEEDEGIRVRSQLENLKAVHVKTLPHPGFPTDMQAQFTALMTVAKGESTMVETVFENRFQHLEEMRRMGLHSEIIRDTARIVGGQPLQGAEVLSTDLRASAALILTGLVAQGETVVGKLVHLDRGYYGFHEKLAQLGAKIQRIEANDEDE
Complex: FCN_G_7(1UAE) / Model_8(1UAE/A) = [3.1]	Download	311.84	-3.82	MDKIVVQGGDNRLVGSVTIEGAKNAVLPLLAATILASEGKTVLQNVPILSDVFIMNQVVGGLNAKVDFDEEAHLVKVDATGDITEEAPYKYVSKMRASIVVLGPILARVGHAKVSMPGGCTIGSRPIDLHLKGLEAMGVKISQTAGYIEAKAERLHGAHIYMDFPSVGATQNLMMAATLADGVTVIENAAREPEIVDLAILLNEMGAKVKGAGTETITITGVEKLHGTTHNVVQDRIEAGTFMVAAAMTGGDVLIRDAVWEHNRPLIAKLLEMGVEVIEEDEGIRVRSQLENLKAVHVKTLPHPGFPTDMQAQFTALMTVAKGESTMVETVFENRFQHLEEMRRMGLHSEIIRDTARIVGGQPLQGAEVLSTDLRASAALILTGLVAQGETVVGKLVHLDRGYYGFHEKLAQLGAKIQRIEANDEDE
Consensus [pKd Mean = 5.25]	-	1046 (s=587)	10 (s=8)	MDKIVVQGGDNRLVGSVTIEGAKNAVLPLLAATILASEGKTVLQNVPILSDVFIMNQVVGGLNAKVDFDEEAHLVKVDATGDITEEAPYKYVSKMRASIVVLGPILARVGHAKVSMPGGCTIGSRPIDLHLKGLEAMGVKISQTAGYIEAKAERLHGAHIYMDFPSVGATQNLMMAATLADGVTVIENAAREPEIVDLAILLNEMGAKVKGAGTETITITGVEKLHGTTHNVVQDRIEAGTFMVAAAMTGGDVLIRDAVWEHNRPLIAKLLEMGVEVIEEDEGIRVRSQLENLKAVHVKTLPHPGFPTDMQAQFTALMTVAKGESTMVETVFENRFQHLEEMRRMGLHSEIIRDTARIVGGQPLQGAEVLSTDLRASAALILTGLVAQGETVVGKLVHLDRGYYGFHEKLAQLGAKIQRIEANDEDE

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LYS	23	CD	24	4	11[C], 1[P], 10[O], 2[N],
LYS	23	NZ	39	4	19[C], 2[P], 16[O], 2[N],
LYS	23	CE	29	4	14[C], 1[P], 12[O], 2[N],
LYS	23	CG	22	4	9[O], 2[N], 1[P], 10[C],
ASN	24	CG	45	4	2[P], 22[C], 2[N], 19[O],
ASN	24	OD1	42	4	18[O], 2[N], 2[P], 20[C],
ASN	24	ND2	47	4	2[N], 20[O], 3[P], 22[C],
LEU	27	CD1	16	4	8[O], 1[N], 6[C], 1[P],
LEU	27	CD2	13	4	7[C], 1[N], 5[O],
LEU	27	CG	11	4	5[O], 2[N], 4[C],
PRO	28	CD	8	4	4[C], 2[N], 2[O],
PRO	28	CG	7	4	2[O], 1[N], 4[C],
ASP	51	CG	16	4	2[P], 5[C], 9[O],
ASP	51	OD2	29	4	15[O], 2[N], 2[P], 10[C],
ASP	51	OD1	13	4	8[O], 3[C], 2[P],
MET	55	CE	1	4	1[C],
VAL	92	CG1	1	4	1[O],
MET	95	CG	16	4	6[C], 2[P], 8[O],
MET	95	CE	2	4	1[C], 1[O],
MET	95	SD	8	4	5[O], 2[C], 1[P],
ARG	96	NE	46	4	21[O], 3[N], 5[P], 17[C],
ARG	96	CZ	38	4	3[N], 17[O], 3[P], 15[C],
ARG	96	CG	48	4	23[O], 2[N], 18[C], 5[P],
ARG	96	CD	45	4	18[C], 5[P], 20[O], 2[N],
SER	98	OG	1	4	1[O],
ILE	99	CG1	1	4	1[O],
ILE	99	CG2	10	4	1[P], 4[C], 5[O],
VAL	100	CG2	2	4	2[C],
VAL	100	CG1	9	4	1[N], 4[O], 4[C],
PRO	117	CG	3	4	1[C], 2[O],
CYS	120	SG	28	4	12[C], 2[P], 13[O], 1[N],
THR	121	OG1	9	4	5[O], 3[C], 1[P],
THR	121	CG2	5	4	2[C], 3[O],
ILE	122	CG1	34	4	18[O], 14[C], 2[P],
ILE	122	CG2	21	4	9[O], 12[C],
ILE	122	CD1	34	4	15[C], 3[P], 1[N], 15[O],
SER	124	OG	20	4	1[P], 7[C], 10[O], 2[N],
ARG	125	NE	74	4	31[O], 4[N], 34[C], 5[P],
ARG	125	CG	44	4	4[P], 18[C], 3[N], 19[O],
ARG	125	CD	51	4	22[C], 5[P], 23[O], 1[N],
ARG	125	CZ	69	4	5[P], 31[C], 31[O], 2[N],
PRO	126	CD	33	4	12[O], 4[N], 17[C],
PRO	126	CG	31	4	11[O], 4[N], 16[C],
ILE	127	CG2	21	4	1[P], 9[C], 4[N], 7[O],
ILE	127	CD1	4	4	2[O], 2[C],
ILE	127	CG1	10	4	6[C], 2[O], 2[N],
ASP	128	OD1	24	4	4[N], 8[O], 12[C],
ASP	128	OD2	19	4	10[C], 4[N], 5[O],
ASP	128	CG	22	4	4[N], 7[O], 11[C],
LEU	129	CG	25	4	4[N], 8[O], 13[C],
LEU	129	CD2	20	4	6[O], 4[N], 10[C],
LEU	129	CD1	39	4	4[N], 15[O], 18[C], 2[P],
HIS	130	ND1	15	4	6[C], 8[O], 1[N],
HIS	130	NE2	35	4	4[P], 10[C], 17[O], 4[N],
HIS	130	CD2	29	4	4[P], 9[C], 4[N], 12[O],
HIS	130	CG	17	4	3[N], 7[O], 7[C],
HIS	130	CE1	25	4	12[O], 3[N], 6[C], 4[P],
LEU	131	CD1	2	4	2[O],
LEU	131	CG	2	4	2[O],
MET	162	SD	3	4	2[O], 1[C],
MET	162	CE	6	4	1[N], 2[O], 3[C],
ASP	163	OD1	3	4	1[C], 1[N], 1[O],
PHE	164	CZ	4	4	2[O], 2[C],
PHE	164	CD1	20	4	4[N], 5[O], 11[C],
PHE	164	CE1	13	4	5[C], 4[O], 4[N],
PHE	164	CG	23	4	14[C], 5[O], 4[N],
PHE	164	CE2	6	4	2[C], 4[O],
PHE	164	CD2	13	4	6[C], 4[O], 3[N],
PRO	165	CD	13	4	7[C], 5[O], 1[N],
PRO	165	CG	13	4	2[P], 5[C], 6[O],
SER	166	OG	56	4	4[P], 24[C], 4[N], 24[O],
VAL	167	CG2	49	4	24[O], 2[N], 19[C], 4[P],
VAL	167	CG1	47	4	4[P], 17[C], 24[O], 2[N],
THR	170	OG1	4	4	4[O],
GLN	171	NE2	19	4	1[P], 8[C], 8[O], 2[N],
GLN	171	OE1	20	4	8[O], 2[N], 8[C], 2[P],
GLN	171	CG	7	4	3[C], 4[O],
GLN	171	CD	19	4	1[P], 8[C], 8[O], 2[N],
GLU	192	OE1	13	4	6[O], 6[C], 1[P],
GLU	192	CG	19	4	11[C], 8[O],
GLU	192	CD	18	4	7[O], 10[C], 1[P],
GLU	192	OE2	21	4	10[O], 9[C], 2[P],
GLU	194	OE1	15	4	6[O], 1[N], 8[C],
GLU	194	CD	9	4	5[O], 4[C],
GLU	194	OE2	2	4	2[O],
GLU	194	CG	9	4	5[C], 2[N], 2[O],
ILE	195	CG1	3	4	3[O],
ILE	195	CD1	8	4	2[C], 6[O],
ASP	235	OD2	1	4	1[O],
ARG	236	CZ	7	4	4[C], 3[O],
ARG	236	NE	2	4	2[O],
ILE	237	CG1	13	4	8[O], 5[C],
ILE	237	CD1	8	4	6[O], 2[C],
ILE	237	CG2	4	4	4[O],
PRO	302	CD	2	4	1[C], 1[O],
PRO	302	CG	7	4	4[O], 3[C],
PRO	307	CG	2	4	2[O],
THR	308	CG2	40	4	16[O], 21[C], 3[P],
THR	308	OG1	15	4	5[O], 10[C],
ASP	309	OD1	45	4	2[N], 21[O], 1[P], 21[C],
ASP	309	CG	41	4	20[C], 1[P], 2[N], 18[O],
ASP	309	OD2	47	4	22[C], 3[P], 20[O], 2[N],
GLU	329	OE1	1	4	1[O],
GLU	329	CD	1	4	1[O],
GLU	329	OE2	6	4	1[C], 5[O],
GLU	329	CG	1	4	1[O],
VAL	331	CG2	26	4	14[O], 11[C], 1[P],
VAL	331	CG1	48	4	1[N], 23[O], 4[P], 20[C],
PHE	332	CE1	79	4	34[O], 4[N], 35[C], 6[P],
PHE	332	CD1	62	4	4[P], 28[C], 2[N], 28[O],
PHE	332	CE2	73	4	31[C], 5[P], 35[O], 2[N],
PHE	332	CZ	81	4	36[O], 4[N], 36[C], 5[P],
PHE	332	CD2	61	4	4[P], 29[C], 28[O],
PHE	332	CG	54	4	4[P], 25[C], 25[O],
GLU	333	CD	12	4	7[C], 5[O],
GLU	333	CG	4	4	3[O], 1[C],
GLU	333	OE2	12	4	5[O], 7[C],
GLU	333	OE1	17	4	9[C], 1[N], 7[O],
ASN	334	ND2	2	4	2[O],
ARG	335	CG	6	4	3[O], 3[C],
ARG	335	CZ	29	4	12[O], 16[C], 1[P],
ARG	335	NE	20	4	7[O], 13[C],
ARG	335	CD	10	4	6[C], 4[O],
ASP	373	CG	9	4	3[O], 6[C],
ASP	373	OD1	12	4	5[O], 7[C],
ASP	373	OD2	6	4	4[C], 2[O],
LEU	374	CD1	17	4	10[C], 1[P], 1[N], 5[O],
LEU	374	CG	19	4	1[P], 7[C], 1[N], 10[O],
LEU	374	CD2	24	4	2[N], 11[O], 1[P], 10[C],
ARG	375	CD	17	4	9[C], 7[O], 1[N],
ARG	375	CZ	14	4	6[O], 8[C],
ARG	375	NE	16	4	1[P], 9[C], 6[O],
ARG	375	CG	17	4	10[C], 7[O],
HIS	398	CE1	1	4	1[O],
HIS	398	ND1	1	4	1[O],
ARG	401	CZ	25	4	1[N], 12[O], 2[P], 10[C],
ARG	401	CG	9	4	2[P], 2[C], 5[O],
ARG	401	CD	15	4	2[P], 3[C], 10[O],
ARG	401	NE	20	4	2[P], 6[C], 12[O],
Total = 139


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