Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: TMP_C_3(1CY2) / Model_5(1CY2/A) = [4.2]	Download	787.88	-3.70	MNPLLIVGTRQWKGVHSVMAYKYLVIVESPAKAKTIEKYLGRNYKVMASVGHIRDLPKSKMGIDFENNYEPHYISIRGKGDVIKSLKAAAKKAQKVYLASDPDREGEAIAWHLAYLLGLDLKEKNRVVFNEITKDAVKAAFKEPRTIDVDLVDAQQARRTLDRIVGYSISPILWRKVKKGLSAGRVQSVALKIIIDREKEIREFVPEEYWSIDGNFKKARKKFKANFWGIDGKKKKLPDAQSVKEVTARIDGTDFEVKKVEKKERKRNPANPFTTSSLQQEAARKLNFRTRKTMMVAQQLYEGITLGKQGTVGLITYMRTDSTRIADTAKAEAAAFIEDTYGKEFSRHDHRKIKNAQGAQDAHEAVRPTSVLRTPDELKQYLDKDQLKLYTLIWSRFVASQMTPAILDTMKVTLEQNGVIFIANGSKIKFKGFMQVYVEGRDDGKEEKENILPELEEGDVVQSVDIEPKQHFTQPPARFSEATLIRALEENGVGRPSTYAPTLDTIQRRYYVKLTQKRFEPTELGEIVNSLICEFFPQIVDIHFTAEMEGDLDKIEEGTEAWVKVVDRFYKPFEKELTNAEEKIEKIQIKDEPAGFDCDVCGHPMVIKLGKYGKFYACSNFPDCRNTKPIVKEIGVTCPVCHEGQVIERKSKKNRLFYGCSRFPECEFTSWDKPVGRNCPKCDGYLVEKKVKGGKQVVCVNGDYEEDIQK
Complex: T3P_C_3(1CY8) / Model_7(1CY8/A) = [4.0]	Download	1009.97	-4.70	MNPLLIVGTRQWKGVHSVMAYKYLVIVESPAKAKTIEKYLGRNYKVMASVGHIRDLPKSKMGIDFENNYEPHYISIRGKGDVIKSLKAAAKKAQKVYLASDPDREGEAIAWHLAYLLGLDLKEKNRVVFNEITKDAVKAAFKEPRTIDVDLVDAQQARRTLDRIVGYSISPILWRKVKKGLSAGRVQSVALKIIIDREKEIREFVPEEYWSIDGNFKKARKKFKANFWGIDGKKKKLPDAQSVKEVTARIDGTDFEVKKVEKKERKRNPANPFTTSSLQQEAARKLNFRTRKTMMVAQQLYEGITLGKQGTVGLITYMRTDSTRIADTAKAEAAAFIEDTYGKEFSRHDHRKIKNAQGAQDAHEAVRPTSVLRTPDELKQYLDKDQLKLYTLIWSRFVASQMTPAILDTMKVTLEQNGVIFIANGSKIKFKGFMQVYVEGRDDGKEEKENILPELEEGDVVQSVDIEPKQHFTQPPARFSEATLIRALEENGVGRPSTYAPTLDTIQRRYYVKLTQKRFEPTELGEIVNSLICEFFPQIVDIHFTAEMEGDLDKIEEGTEAWVKVVDRFYKPFEKELTNAEEKIEKIQIKDEPAGFDCDVCGHPMVIKLGKYGKFYACSNFPDCRNTKPIVKEIGVTCPVCHEGQVIERKSKKNRLFYGCSRFPECEFTSWDKPVGRNCPKCDGYLVEKKVKGGKQVVCVNGDYEEDIQK
Consensus [pKd Mean = 4.10]	-	898 (s=111)	-4 (s=0)	MNPLLIVGTRQWKGVHSVMAYKYLVIVESPAKAKTIEKYLGRNYKVMASVGHIRDLPKSKMGIDFENNYEPHYISIRGKGDVIKSLKAAAKKAQKVYLASDPDREGEAIAWHLAYLLGLDLKEKNRVVFNEITKDAVKAAFKEPRTIDVDLVDAQQARRTLDRIVGYSISPILWRKVKKGLSAGRVQSVALKIIIDREKEIREFVPEEYWSIDGNFKKARKKFKANFWGIDGKKKKLPDAQSVKEVTARIDGTDFEVKKVEKKERKRNPANPFTTSSLQQEAARKLNFRTRKTMMVAQQLYEGITLGKQGTVGLITYMRTDSTRIADTAKAEAAAFIEDTYGKEFSRHDHRKIKNAQGAQDAHEAVRPTSVLRTPDELKQYLDKDQLKLYTLIWSRFVASQMTPAILDTMKVTLEQNGVIFIANGSKIKFKGFMQVYVEGRDDGKEEKENILPELEEGDVVQSVDIEPKQHFTQPPARFSEATLIRALEENGVGRPSTYAPTLDTIQRRYYVKLTQKRFEPTELGEIVNSLICEFFPQIVDIHFTAEMEGDLDKIEEGTEAWVKVVDRFYKPFEKELTNAEEKIEKIQIKDEPAGFDCDVCGHPMVIKLGKYGKFYACSNFPDCRNTKPIVKEIGVTCPVCHEGQVIERKSKKNRLFYGCSRFPECEFTSWDKPVGRNCPKCDGYLVEKKVKGGKQVVCVNGDYEEDIQK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
HIS	52	NE2	2	2	1[O], 1[C],
PRO	102	CD	2	2	1[O], 1[C],
PRO	102	CG	4	2	1[O], 3[C],
ASP	103	CG	32	2	8[O], 4[N], 20[C],
ASP	103	OD2	30	2	19[C], 4[N], 7[O],
ASP	103	OD1	24	2	3[N], 5[O], 16[C],
ARG	104	NE	42	2	4[N], 2[P], 16[O], 20[C],
ARG	104	CZ	40	2	4[N], 2[P], 15[O], 19[C],
ARG	104	CD	42	2	16[O], 4[N], 2[P], 20[C],
ARG	104	CG	42	2	20[C], 16[O], 2[P], 4[N],
GLU	105	CD	11	2	2[N], 2[O], 7[C],
GLU	105	OE2	9	2	1[O], 2[N], 6[C],
GLU	105	CG	12	2	2[O], 2[N], 8[C],
GLU	105	OE1	11	2	2[N], 2[O], 7[C],
GLU	107	OE1	6	2	4[O], 1[P], 1[C],
GLU	107	CG	2	2	2[O],
GLU	107	CD	2	2	2[O],
ILE	109	CD1	1	2	1[C],
ASP	148	OD1	1	2	1[O],
ASP	148	CG	6	2	4[O], 2[P],
ASP	148	OD2	8	2	6[O], 2[P],
LEU	151	CD1	18	2	6[C], 2[P], 10[O],
LEU	151	CD2	30	2	13[C], 13[O], 2[P], 2[N],
LEU	151	CG	18	2	9[O], 2[P], 7[C],
GLN	155	NE2	24	2	5[O], 4[N], 15[C],
GLN	155	OE1	17	2	3[N], 4[O], 10[C],
GLN	155	CD	18	2	3[N], 4[O], 11[C],
GLN	155	CG	15	2	9[C], 4[O], 2[N],
GLN	156	NE2	1	2	1[O],
ARG	158	CZ	25	2	4[N], 6[O], 15[C],
ARG	158	CG	12	2	3[O], 3[N], 6[C],
ARG	158	NE	23	2	14[C], 4[N], 5[O],
ARG	158	CD	19	2	3[N], 4[O], 12[C],
ASP	162	OD2	2	2	1[N], 1[O],
TYR	317	CD1	1	2	1[O],
TYR	317	CZ	8	2	6[C], 2[O],
TYR	317	CE1	2	2	1[O], 1[C],
TYR	317	CE2	14	2	11[C], 3[O],
TYR	317	CG	2	2	1[C], 1[O],
TYR	317	CD2	4	2	2[C], 2[O],
ARG	319	CZ	12	2	2[N], 2[O], 8[C],
ARG	319	CG	9	2	6[C], 1[N], 2[O],
ARG	319	CD	18	2	10[C], 3[N], 5[O],
ARG	319	NE	9	2	7[C], 1[N], 1[O],
THR	320	OG1	4	2	2[C], 2[O],
THR	320	CG2	1	2	1[O],
ASP	321	CG	14	2	9[C], 1[N], 4[O],
ASP	321	OD2	15	2	8[C], 2[N], 5[O],
ASP	321	OD1	16	2	9[C], 6[O], 1[N],
HIS	363	CE1	24	2	9[C], 12[O], 2[P], 1[N],
HIS	363	CD2	22	2	8[C], 2[P], 12[O],
HIS	363	ND1	22	2	8[C], 2[P], 1[N], 11[O],
HIS	363	CG	19	2	2[P], 9[O], 8[C],
HIS	363	NE2	26	2	11[C], 12[O], 2[P], 1[N],
ARG	495	CD	25	2	6[O], 4[N], 15[C],
ARG	495	CG	31	2	4[N], 8[O], 19[C],
ARG	495	NE	30	2	4[N], 10[O], 16[C],
ARG	495	CZ	21	2	12[C], 7[O], 2[N],
PRO	496	CD	28	2	3[N], 7[O], 18[C],
PRO	496	CG	22	2	14[C], 3[N], 5[O],
SER	497	OG	33	2	9[O], 4[N], 20[C],
THR	498	OG1	16	2	4[O], 3[N], 9[C],
THR	498	CG2	21	2	12[C], 5[O], 4[N],
PRO	501	CG	3	2	2[C], 1[O],
GLU	549	CD	12	2	5[C], 4[N], 3[O],
GLU	549	OE1	20	2	12[C], 4[N], 4[O],
GLU	549	OE2	9	2	2[N], 3[O], 4[C],
GLU	549	CG	5	2	1[N], 2[O], 2[C],
LEU	552	CD1	10	2	3[N], 3[O], 4[C],
LEU	552	CG	8	2	3[C], 3[O], 2[N],
LEU	552	CD2	1	2	1[O],
ASP	553	CG	28	2	12[C], 12[O], 2[P], 2[N],
ASP	553	OD2	22	2	10[O], 2[N], 2[P], 8[C],
ASP	553	OD1	33	2	14[C], 2[P], 3[N], 14[O],
GLU	556	OE2	32	2	13[O], 3[N], 2[P], 14[C],
GLU	556	CG	26	2	10[C], 2[P], 2[N], 12[O],
GLU	556	OE1	38	2	17[C], 2[P], 4[N], 15[O],
GLU	556	CD	33	2	15[C], 13[O], 2[P], 3[N],
GLU	557	CG	12	2	2[P], 8[O], 2[C],
GLU	557	CD	10	2	2[P], 8[O],
GLU	557	OE2	12	2	8[O], 2[P], 2[C],
GLU	557	OE1	4	2	2[O], 2[P],
Total = 82


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