Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: OK3_A_2(5J8X) / Model_3(5J8X/A) = [4.6]	Download	622.49	18.40	MTRKNAIAALLLLPSFSYAATVLSAPPELNNKSYVLMDYETGQILASKNENEKLAPASMTKMMTSYIIEQKLLKGELTENEQVRMNESAWCKGSSSESCMYVPLNGTATVLEMLRGIIIQSGNDASKAMAEHIAGNEGTFAHMMNQEAKRIGMTNTQFINSTGMPAEGHYSTAKDMAVLAQHIIKDSSKYYPIYSEKEFTFNGIKQGNRNALLYTDPSVDGLKTGHTDEAGYCLTTSSKRGPMRLISVIFGTPSMSERADQTRALLAWGFANFETANVQPANQVLAKAKVWFGKENEVQVGLAENFNVTMPKGKADGIKTQLVVQPNLNAPLQKGQVVGKLVASLDGKVIAEKPLVALKPVEEAGFFARLIDHIKQFFSNLF
Complex: IM2_A_2(3MZF) / Model_12(3MZF/A) = [4.2]	Download	849.55	3.24	MTRKNAIAALLLLPSFSYAATVLSAPPELNNKSYVLMDYETGQILASKNENEKLAPASMTKMMTSYIIEQKLLKGELTENEQVRMNESAWCKGSSSESCMYVPLNGTATVLEMLRGIIIQSGNDASKAMAEHIAGNEGTFAHMMNQEAKRIGMTNTQFINSTGMPAEGHYSTAKDMAVLAQHIIKDSSKYYPIYSEKEFTFNGIKQGNRNALLYTDPSVDGLKTGHTDEAGYCLTTSSKRGPMRLISVIFGTPSMSERADQTRALLAWGFANFETANVQPANQVLAKAKVWFGKENEVQVGLAENFNVTMPKGKADGIKTQLVVQPNLNAPLQKGQVVGKLVASLDGKVIAEKPLVALKPVEEAGFFARLIDHIKQFFSNLF
Complex: BO9_A_2(1Z6F) / Model_7(1Z6F/A) = [3.3]	Download	1549.54	16.48	MTRKNAIAALLLLPSFSYAATVLSAPPELNNKSYVLMDYETGQILASKNENEKLAPASMTKMMTSYIIEQKLLKGELTENEQVRMNESAWCKGSSSESCMYVPLNGTATVLEMLRGIIIQSGNDASKAMAEHIAGNEGTFAHMMNQEAKRIGMTNTQFINSTGMPAEGHYSTAKDMAVLAQHIIKDSSKYYPIYSEKEFTFNGIKQGNRNALLYTDPSVDGLKTGHTDEAGYCLTTSSKRGPMRLISVIFGTPSMSERADQTRALLAWGFANFETANVQPANQVLAKAKVWFGKENEVQVGLAENFNVTMPKGKADGIKTQLVVQPNLNAPLQKGQVVGKLVASLDGKVIAEKPLVALKPVEEAGFFARLIDHIKQFFSNLF
Consensus [pKd Mean = 4.03]	-	1007 (s=394)	12 (s=6)	MTRKNAIAALLLLPSFSYAATVLSAPPELNNKSYVLMDYETGQILASKNENEKLAPASMTKMMTSYIIEQKLLKGELTENEQVRMNESAWCKGSSSESCMYVPLNGTATVLEMLRGIIIQSGNDASKAMAEHIAGNEGTFAHMMNQEAKRIGMTNTQFINSTGMPAEGHYSTAKDMAVLAQHIIKDSSKYYPIYSEKEFTFNGIKQGNRNALLYTDPSVDGLKTGHTDEAGYCLTTSSKRGPMRLISVIFGTPSMSERADQTRALLAWGFANFETANVQPANQVLAKAKVWFGKENEVQVGLAENFNVTMPKGKADGIKTQLVVQPNLNAPLQKGQVVGKLVASLDGKVIAEKPLVALKPVEEAGFFARLIDHIKQFFSNLF

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
SER	58	OG	53	3	2[B], 1[S], 33[C], 13[O], 4[N],
MET	59	CG	9	3	6[O], 1[C], 2[B],
MET	59	CE	9	3	3[C], 6[O],
MET	59	SD	5	3	4[O], 1[C],
THR	60	CG2	1	3	1[C],
THR	60	OG1	7	3	3[C], 3[O], 1[B],
LYS	61	CG	20	3	2[B], 6[O], 11[C], 1[N],
LYS	61	CE	30	3	2[B], 3[N], 8[O], 17[C],
LYS	61	NZ	44	3	26[C], 12[O], 4[N], 2[B],
LYS	61	CD	29	3	2[B], 3[N], 9[O], 15[C],
CYS	91	SG	3	3	3[C],
LYS	92	CE	1	3	1[C],
SER	95	OG	14	3	10[C], 3[O], 1[N],
SER	96	OG	28	3	4[O], 19[C], 5[N],
GLU	97	CD	37	3	1[B], 1[S], 25[C], 5[O], 5[N],
GLU	97	OE1	33	3	23[C], 3[O], 5[N], 1[B], 1[S],
GLU	97	CG	41	3	28[C], 7[O], 5[N], 1[B],
GLU	97	OE2	36	3	1[S], 5[N], 5[O], 25[C],
SER	98	OG	43	3	6[N], 26[C], 9[O], 1[S], 1[B],
CYS	99	SG	14	3	4[O], 8[C], 2[N],
TYR	101	CE2	7	3	1[N], 1[O], 5[C],
TYR	101	CD1	5	3	4[C], 1[O],
TYR	101	CG	4	3	4[C],
TYR	101	CZ	11	3	2[N], 3[O], 6[C],
TYR	101	CD2	5	3	1[O], 4[C],
TYR	101	CE1	7	3	2[O], 5[C],
GLN	120	CD	9	3	2[O], 7[C],
GLN	120	OE1	6	3	1[O], 5[C],
GLN	120	NE2	12	3	2[O], 9[C], 1[N],
GLN	120	CG	7	3	2[O], 4[C], 1[N],
SER	121	OG	41	3	2[B], 1[S], 23[C], 12[O], 3[N],
ASN	123	CG	39	3	4[N], 25[C], 8[O], 2[B],
ASN	123	ND2	49	3	33[C], 9[O], 5[N], 2[B],
ASN	123	OD1	39	3	2[B], 9[O], 24[C], 4[N],
ASP	124	OD1	1	3	1[C],
ASP	124	OD2	1	3	1[C],
ASN	160	ND2	2	3	2[C],
ASN	160	CG	2	3	2[C],
ASN	160	OD1	2	3	2[C],
THR	162	OG1	16	3	2[B], 2[N], 8[C], 4[O],
THR	162	CG2	9	3	3[O], 6[C],
MET	164	CG	38	3	28[C], 6[O], 3[N], 1[B],
MET	164	CE	19	3	16[C], 2[O], 1[N],
MET	164	SD	34	3	3[N], 4[O], 27[C],
PRO	165	CD	30	3	5[O], 20[C], 4[N], 1[B],
PRO	165	CG	24	3	17[C], 4[O], 3[N],
GLN	206	OE1	5	3	4[C], 1[O],
GLN	206	CD	4	3	1[O], 3[C],
GLN	206	NE2	4	3	1[O], 3[C],
ASN	208	OD1	1	3	1[O],
ARG	209	CD	45	3	13[O], 24[C], 5[N], 2[B], 1[S],
ARG	209	CG	27	3	2[N], 7[O], 17[C], 1[S],
ARG	209	NE	54	3	7[N], 30[C], 14[O], 1[S], 2[B],
ARG	209	CZ	55	3	1[S], 2[B], 7[N], 32[C], 13[O],
LYS	223	CE	19	3	1[N], 8[C], 8[O], 2[B],
LYS	223	CD	12	3	4[C], 6[O], 2[B],
LYS	223	CG	13	3	1[N], 8[O], 2[C], 2[B],
LYS	223	NZ	29	3	18[C], 8[O], 1[N], 2[B],
THR	224	OG1	28	3	1[B], 1[S], 16[C], 9[O], 1[N],
THR	224	CG2	15	3	1[N], 7[O], 6[C], 1[B],
HIS	226	ND1	56	3	36[C], 11[O], 6[N], 2[B], 1[S],
HIS	226	CD2	38	3	10[O], 23[C], 3[N], 1[B], 1[S],
HIS	226	CG	52	3	11[O], 33[C], 5[N], 2[B], 1[S],
HIS	226	NE2	32	3	2[N], 7[O], 21[C], 1[S], 1[B],
HIS	226	CE1	44	3	27[C], 10[O], 5[N], 1[B], 1[S],
THR	227	CG2	52	3	2[B], 1[S], 32[C], 11[O], 6[N],
THR	227	OG1	34	3	23[C], 6[O], 3[N], 2[B],
ASP	228	CG	18	3	2[N], 14[C], 2[O],
ASP	228	OD1	16	3	2[O], 12[C], 2[N],
ASP	228	OD2	20	3	2[O], 16[C], 2[N],
TYR	232	CG	5	3	3[O], 2[C],
TYR	232	CD2	6	3	2[C], 3[O], 1[S],
TYR	232	CE1	6	3	2[O], 4[C],
TYR	232	CD1	5	3	2[O], 3[C],
TYR	232	CE2	6	3	2[O], 3[C], 1[S],
TYR	232	CZ	2	3	2[O],
CYS	233	SG	4	3	4[O],
LEU	234	CD1	1	3	1[O],
MET	255	SD	1	3	1[C],
MET	255	CG	3	3	2[O], 1[C],
ARG	258	CZ	11	3	1[B], 4[O], 6[C],
ARG	258	CG	3	3	1[C], 2[O],
ARG	258	CD	5	3	2[C], 3[O],
ARG	258	NE	8	3	4[O], 4[C],
Total = 84


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