Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 4CT_B_6(3O4V) / Model_36(3O4V/B) = [7.2]	Download	1106.10	7.91	MKIGIIGAMEEEVKILRENLSEPLSWERAGALFISGSLGNHEVIVVRSGIGKVLASITTSLLIQQYGVNMVINTGSAGGIGEGLQVGDIVISDKVAYFDADATGFGYNPGQLPGMPLYYEASTYLRSEMVKAAKATNLNAKEGLIVTGDTFVDSPDKIKEILTNFPEALACEMEGAAVGQTARQFNIPFLIVRAMSDTADHSATQSFDEFIEDAGKRSAEMVIEFVKHLV
Complex: DF9_A_3(3DF9) / Model_38(3DF9/A) = [7.1]	Download	763.77	10.77	MKIGIIGAMEEEVKILRENLSEPLSWERAGALFISGSLGNHEVIVVRSGIGKVLASITTSLLIQQYGVNMVINTGSAGGIGEGLQVGDIVISDKVAYFDADATGFGYNPGQLPGMPLYYEASTYLRSEMVKAAKATNLNAKEGLIVTGDTFVDSPDKIKEILTNFPEALACEMEGAAVGQTARQFNIPFLIVRAMSDTADHSATQSFDEFIEDAGKRSAEMVIEFVKHLV
Complex: 4EH_A_2(4YNB) / Model_72(4YNB/A) = [6.7]	Download	730.02	7.91	MKIGIIGAMEEEVKILRENLSEPLSWERAGALFISGSLGNHEVIVVRSGIGKVLASITTSLLIQQYGVNMVINTGSAGGIGEGLQVGDIVISDKVAYFDADATGFGYNPGQLPGMPLYYEASTYLRSEMVKAAKATNLNAKEGLIVTGDTFVDSPDKIKEILTNFPEALACEMEGAAVGQTARQFNIPFLIVRAMSDTADHSATQSFDEFIEDAGKRSAEMVIEFVKHLV
Complex: MTA_D_4(1Z5O) / Model_50(1Z5O/B) = [6.6]	Download	819.20	12.60	MKIGIIGAMEEEVKILRENLSEPLSWERAGALFISGSLGNHEVIVVRSGIGKVLASITTSLLIQQYGVNMVINTGSAGGIGEGLQVGDIVISDKVAYFDADATGFGYNPGQLPGMPLYYEASTYLRSEMVKAAKATNLNAKEGLIVTGDTFVDSPDKIKEILTNFPEALACEMEGAAVGQTARQFNIPFLIVRAMSDTADHSATQSFDEFIEDAGKRSAEMVIEFVKHLV
Complex: 4EZ_A_3(4YO8) / Model_71(4YO8/A) = [6.6]	Download	831.69	13.25	MKIGIIGAMEEEVKILRENLSEPLSWERAGALFISGSLGNHEVIVVRSGIGKVLASITTSLLIQQYGVNMVINTGSAGGIGEGLQVGDIVISDKVAYFDADATGFGYNPGQLPGMPLYYEASTYLRSEMVKAAKATNLNAKEGLIVTGDTFVDSPDKIKEILTNFPEALACEMEGAAVGQTARQFNIPFLIVRAMSDTADHSATQSFDEFIEDAGKRSAEMVIEFVKHLV
Consensus [pKd Mean = 6.84]	-	850 (s=133)	10 (s=2)	MKIGIIGAMEEEVKILRENLSEPLSWERAGALFISGSLGNHEVIVVRSGIGKVLASITTSLLIQQYGVNMVINTGSAGGIGEGLQVGDIVISDKVAYFDADATGFGYNPGQLPGMPLYYEASTYLRSEMVKAAKATNLNAKEGLIVTGDTFVDSPDKIKEILTNFPEALACEMEGAAVGQTARQFNIPFLIVRAMSDTADHSATQSFDEFIEDAGKRSAEMVIEFVKHLV

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
MET	9	CE	175	17	11[S], 24[O], 123[C], 16[N],
MET	9	CG	178	17	11[S], 26[O], 127[C], 13[N],
MET	9	SD	213	17	26[O], 156[C], 19[N], 11[S],
GLU	11	OE2	16	17	10[C], 5[O], 1[N],
GLU	11	OE1	14	17	3[O], 10[C], 1[N],
GLU	11	CD	11	17	2[O], 8[C], 1[N],
GLU	11	CG	2	17	1[C], 1[O],
GLU	12	OE1	150	17	3[S], 106[C], 20[O], 21[N],
GLU	12	CD	146	17	21[O], 108[C], 16[N], 1[S],
GLU	12	CG	94	17	19[O], 63[C], 12[N],
GLU	12	OE2	192	17	7[S], 132[C], 21[O], 32[N],
SER	48	OG	14	17	14[O],
ILE	50	CG2	206	17	11[S], 25[O], 137[C], 33[N],
ILE	50	CD1	174	17	11[S], 15[N], 120[C], 27[O],
ILE	50	CG1	173	17	26[O], 120[C], 15[N], 11[S],
LEU	54	CD1	6	17	6[O],
ASN	73	CG	4	17	4[O],
ASN	73	ND2	7	17	7[O],
ASN	73	OD1	6	17	6[O],
SER	76	OG	277	17	60[N], 186[C], 22[O], 9[S],
ILE	80	CG2	7	17	1[C], 6[N],
ILE	80	CD1	1	17	1[N],
ILE	80	CG1	5	17	5[N],
PHE	98	CZ	55	17	30[N], 25[C],
PHE	98	CE2	56	17	26[C], 30[N],
PHE	98	CD2	32	17	15[C], 17[N],
PHE	98	CE1	31	17	15[C], 16[N],
THR	147	OG1	11	17	5[C], 5[O], 1[N],
THR	147	CG2	45	17	7[O], 24[C], 14[N],
ASP	149	OD1	1	17	1[O],
THR	150	CG2	52	17	26[C], 26[N],
THR	150	OG1	27	17	12[N], 15[C],
PHE	151	CD2	315	17	14[O], 206[C], 84[N], 11[S],
PHE	151	CG	318	17	86[N], 212[C], 9[O], 11[S],
PHE	151	CE1	295	17	11[S], 81[N], 189[C], 14[O],
PHE	151	CD1	304	17	11[S], 15[O], 196[C], 82[N],
PHE	151	CZ	306	17	86[N], 204[C], 5[O], 11[S],
PHE	151	CE2	309	17	11[S], 84[N], 199[C], 15[O],
VAL	152	CG2	141	17	68[N], 73[C],
VAL	152	CG1	123	17	57[N], 66[C],
ASP	153	OD2	11	17	1[C], 10[N],
ASP	153	OD1	29	17	4[C], 25[N],
ASP	153	CG	36	17	10[C], 26[N],
LYS	157	CD	3	17	3[N],
ILE	158	CD1	36	17	17[C], 19[N],
ILE	158	CG1	20	17	18[N], 2[C],
LYS	159	CG	5	17	5[N],
LYS	159	CD	5	17	5[N],
ILE	161	CD1	31	17	16[C], 15[N],
LEU	162	CD1	19	17	10[C], 9[N],
CYS	171	SG	183	17	69[N], 111[C], 3[O],
GLU	172	CD	200	17	49[N], 130[C], 21[O],
GLU	172	CG	243	17	67[N], 155[C], 21[O],
GLU	172	OE1	155	17	35[N], 104[C], 16[O],
GLU	172	OE2	136	17	36[N], 86[C], 14[O],
MET	173	CE	266	17	50[N], 183[C], 22[O], 11[S],
MET	173	CG	310	17	84[N], 193[C], 22[O], 11[S],
MET	173	SD	327	17	11[S], 85[N], 208[C], 23[O],
GLU	174	OE2	210	17	11[S], 22[O], 144[C], 33[N],
GLU	174	CG	99	17	11[N], 67[C], 21[O],
GLU	174	OE1	214	17	34[N], 148[C], 22[O], 10[S],
GLU	174	CD	185	17	10[S], 32[N], 121[C], 22[O],
ARG	193	CZ	162	17	33[N], 108[C], 21[O],
ARG	193	CG	56	17	13[N], 38[C], 5[O],
ARG	193	NE	123	17	21[O], 79[C], 23[N],
ARG	193	CD	111	17	12[O], 80[C], 19[N],
MET	195	CE	3	17	2[N], 1[C],
MET	195	CG	28	17	16[N], 12[C],
MET	195	SD	3	17	2[N], 1[C],
SER	196	OG	253	17	1[S], 84[N], 164[C], 4[O],
ASP	197	CG	209	17	3[O], 128[C], 78[N],
ASP	197	OD1	213	17	78[N], 132[C], 3[O],
ASP	197	OD2	232	17	2[O], 147[C], 82[N], 1[S],
THR	198	OG1	9	17	9[N],
ASP	200	OD2	1	17	1[N],
ASP	200	OD1	12	17	12[N],
THR	204	CG2	20	17	1[S], 1[N], 2[O], 16[C],
THR	204	OG1	23	17	1[S], 15[N], 7[C],
PHE	207	CD2	281	17	13[O], 198[C], 59[N], 11[S],
PHE	207	CZ	302	17	58[N], 206[C], 26[O], 11[S],
PHE	207	CE1	315	17	25[O], 210[C], 69[N], 11[S],
PHE	207	CE2	287	17	56[N], 199[C], 21[O], 11[S],
PHE	207	CG	305	17	83[N], 204[C], 7[O], 11[S],
PHE	207	CD1	314	17	19[O], 210[C], 73[N], 11[S],
ASP	208	OD1	33	17	1[S], 4[O], 26[C], 2[N],
ASP	208	OD2	21	17	1[N], 2[O], 18[C],
ASP	208	CG	18	17	3[O], 14[C], 1[N],
ILE	211	CG2	50	17	3[O], 40[C], 7[N],
ILE	211	CG1	132	17	1[S], 28[N], 5[O], 98[C],
ILE	211	CD1	146	17	10[S], 21[N], 104[C], 10[O],
Total = 90


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