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] : 5 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ATP_J_5(4YMU) / Model_80(4YMU/J) = [5.6]	Download	1143.19	-5.05	MVEMALKNVYKKYDNAENYSVTDFNLSIKDREFIVFVGPSGCGKSTTLRMIAGLEDISEGELNIGGKVMNDVAPKDRDIAMVFQNYALYPHMTVFDNMAFGLKLRKYDKADIKKRVDNAAEILGLTEYLKRKPAALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVAMRAEIAKLHQRLETTTIYVTHDQTEAMTMADRIVIMKDGFIQQIGTPKEVYDTPVNMFVAGFIGSPAMNFFNVTLKNGVITDGHGLKLRIPEGKNKVLVEKGYEGKEVIFGIRPEDIHSEQVALEASPEAVVKSEVVVSELLGAETMLYTKTGSTEFISKVDARDFHKPGEIVDLAFNISKGHFFDKETEQVIKLP
Complex: ANP_J_5(3C41) / Model_61(3C41/J) = [5.1]	Download	724.26	-10.79	MVEMALKNVYKKYDNAENYSVTDFNLSIKDREFIVFVGPSGCGKSTTLRMIAGLEDISEGELNIGGKVMNDVAPKDRDIAMVFQNYALYPHMTVFDNMAFGLKLRKYDKADIKKRVDNAAEILGLTEYLKRKPAALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVAMRAEIAKLHQRLETTTIYVTHDQTEAMTMADRIVIMKDGFIQQIGTPKEVYDTPVNMFVAGFIGSPAMNFFNVTLKNGVITDGHGLKLRIPEGKNKVLVEKGYEGKEVIFGIRPEDIHSEQVALEASPEAVVKSEVVVSELLGAETMLYTKTGSTEFISKVDARDFHKPGEIVDLAFNISKGHFFDKETEQVIKLP
Complex: AT4_B_6(2OLK) / Model_72(2OLK/B) = [3.7]	Download	484.81	-1.00	MVEMALKNVYKKYDNAENYSVTDFNLSIKDREFIVFVGPSGCGKSTTLRMIAGLEDISEGELNIGGKVMNDVAPKDRDIAMVFQNYALYPHMTVFDNMAFGLKLRKYDKADIKKRVDNAAEILGLTEYLKRKPAALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVAMRAEIAKLHQRLETTTIYVTHDQTEAMTMADRIVIMKDGFIQQIGTPKEVYDTPVNMFVAGFIGSPAMNFFNVTLKNGVITDGHGLKLRIPEGKNKVLVEKGYEGKEVIFGIRPEDIHSEQVALEASPEAVVKSEVVVSELLGAETMLYTKTGSTEFISKVDARDFHKPGEIVDLAFNISKGHFFDKETEQVIKLP
Complex: ADP_A_5(2Q0H) / Model_65(2Q0H/A) = [3.3]	Download	518.79	-9.17	MVEMALKNVYKKYDNAENYSVTDFNLSIKDREFIVFVGPSGCGKSTTLRMIAGLEDISEGELNIGGKVMNDVAPKDRDIAMVFQNYALYPHMTVFDNMAFGLKLRKYDKADIKKRVDNAAEILGLTEYLKRKPAALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVAMRAEIAKLHQRLETTTIYVTHDQTEAMTMADRIVIMKDGFIQQIGTPKEVYDTPVNMFVAGFIGSPAMNFFNVTLKNGVITDGHGLKLRIPEGKNKVLVEKGYEGKEVIFGIRPEDIHSEQVALEASPEAVVKSEVVVSELLGAETMLYTKTGSTEFISKVDARDFHKPGEIVDLAFNISKGHFFDKETEQVIKLP
Complex: AGS_B_6(3C4J) / Model_62(3C4J/B) = [3.2]	Download	968.59	-2.93	MVEMALKNVYKKYDNAENYSVTDFNLSIKDREFIVFVGPSGCGKSTTLRMIAGLEDISEGELNIGGKVMNDVAPKDRDIAMVFQNYALYPHMTVFDNMAFGLKLRKYDKADIKKRVDNAAEILGLTEYLKRKPAALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVAMRAEIAKLHQRLETTTIYVTHDQTEAMTMADRIVIMKDGFIQQIGTPKEVYDTPVNMFVAGFIGSPAMNFFNVTLKNGVITDGHGLKLRIPEGKNKVLVEKGYEGKEVIFGIRPEDIHSEQVALEASPEAVVKSEVVVSELLGAETMLYTKTGSTEFISKVDARDFHKPGEIVDLAFNISKGHFFDKETEQVIKLP
Consensus [pKd Mean = 4.18]	-	767 (s=255)	-5 (s=3)	MVEMALKNVYKKYDNAENYSVTDFNLSIKDREFIVFVGPSGCGKSTTLRMIAGLEDISEGELNIGGKVMNDVAPKDRDIAMVFQNYALYPHMTVFDNMAFGLKLRKYDKADIKKRVDNAAEILGLTEYLKRKPAALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVAMRAEIAKLHQRLETTTIYVTHDQTEAMTMADRIVIMKDGFIQQIGTPKEVYDTPVNMFVAGFIGSPAMNFFNVTLKNGVITDGHGLKLRIPEGKNKVLVEKGYEGKEVIFGIRPEDIHSEQVALEASPEAVVKSEVVVSELLGAETMLYTKTGSTEFISKVDARDFHKPGEIVDLAFNISKGHFFDKETEQVIKLP

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LYS	11	CD	3	5	2[C], 1[N],
LYS	11	CG	10	5	4[C], 1[O], 5[N],
LYS	11	NZ	4	5	2[N], 2[C],
LYS	11	CE	10	5	5[N], 5[C],
TYR	13	CE2	18	5	5[N], 3[O], 10[C],
TYR	13	CZ	21	5	10[C], 5[N], 1[P], 5[O],
TYR	13	CD2	17	5	2[O], 5[N], 10[C],
TYR	13	CG	19	5	10[C], 5[N], 4[O],
TYR	13	CD1	21	5	10[C], 5[N], 5[O], 1[P],
TYR	13	CE1	22	5	10[C], 5[N], 6[O], 1[P],
ASP	14	OD2	3	5	2[N], 1[C],
ASP	14	CG	3	5	1[C], 2[N],
ASP	14	OD1	3	5	1[C], 2[N],
SER	20	OG	22	5	10[C], 4[N], 7[O], 1[P],
VAL	21	CG2	2	5	1[C], 1[O],
PRO	39	CD	8	5	8[O],
PRO	39	CG	8	5	8[O],
SER	40	OG	59	5	11[P], 36[O], 1[N], 9[C], 2[S],
CYS	42	SG	55	5	1[N], 13[P], 37[O], 1[S], 3[C],
LYS	44	NZ	60	5	3[C], 2[S], 1[N], 41[O], 13[P],
LYS	44	CE	52	5	2[S], 1[N], 13[P], 36[O],
LYS	44	CD	48	5	13[P], 32[O], 1[N], 2[S],
LYS	44	CG	59	5	2[C], 2[S], 41[O], 13[P], 1[N],
SER	45	OG	67	5	2[N], 41[O], 13[P], 2[S], 9[C],
THR	46	CG2	82	5	16[N], 26[O], 5[P], 35[C],
THR	46	OG1	133	5	25[N], 48[O], 10[P], 1[S], 49[C],
THR	47	OG1	22	5	15[O], 7[P],
LEU	48	CD1	4	5	4[O],
LEU	48	CG	4	5	4[O],
ARG	49	NE	44	5	16[C], 11[N], 14[O], 3[P],
ARG	49	CD	40	5	11[C], 13[O], 5[P], 11[N],
ARG	49	CG	16	5	10[O], 4[N], 2[C],
ARG	49	CZ	56	5	18[O], 6[P], 13[N], 19[C],
MET	50	CE	1	5	1[O],
GLU	55	CD	40	5	18[N], 1[O], 21[C],
GLU	55	OE2	47	5	23[C], 1[P], 3[O], 20[N],
GLU	55	OE1	50	5	24[C], 3[O], 23[N],
GLU	55	CG	29	5	15[C], 13[N], 1[O],
GLN	84	CD	9	5	1[P], 6[O], 2[S],
GLN	84	OE1	21	5	5[P], 14[O], 2[S],
GLN	84	CG	2	5	1[O], 1[S],
GLN	84	NE2	6	5	2[S], 3[O], 1[P],
ASP	160	OD1	42	5	1[N], 10[P], 29[O], 2[S],
ASP	160	CG	33	5	1[N], 22[O], 8[P], 2[S],
ASP	160	OD2	47	5	2[S], 31[O], 13[P], 1[N],
GLU	161	CG	24	5	2[S], 16[O], 6[P],
GLU	161	OE2	43	5	2[S], 9[P], 31[O], 1[N],
GLU	161	OE1	33	5	2[S], 1[N], 22[O], 8[P],
GLU	161	CD	36	5	2[S], 1[N], 9[P], 24[O],
SER	164	OG	4	5	2[O], 1[P], 1[S],
VAL	192	CG2	21	5	1[S], 15[O], 5[P],
VAL	192	CG1	36	5	1[N], 24[O], 9[P], 2[S],
HIS	194	CD2	14	5	1[S], 9[O], 4[P],
HIS	194	CE1	21	5	2[S], 5[P], 14[O],
HIS	194	ND1	8	5	6[O], 1[P], 1[S],
HIS	194	NE2	23	5	2[S], 5[P], 16[O],
HIS	194	CG	7	5	1[P], 5[O], 1[S],
MET	209	SD	19	5	15[O], 4[P],
MET	209	CG	5	5	5[O],
MET	209	CE	25	5	8[P], 17[O],
PHE	235	CZ	1	5	1[O],
PHE	235	CE2	1	5	1[O],
Total = 62


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