Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: TYD_C_8(5LKM) / Model_48(5LKM/C) = [5.5]	Download	838.17	10.10	MIRIKGGGTMAKKSKVQFVCQNCGYVSPKFLGRCPNCGKWNTMVEEIEQDTTDRRTRTSLTGEKAKPTKIADVVPKKEPRIKTKLEELNRVLGGGVVPGSMVLIGGDPGIGKSTLLLQVSQQLAAIGGKVLYVSGEESAEQIKLRAERLGSINTEFYLYAETDMNEISRAIEHISPDYVIIDSIQTMTQPDITSVAGSVSQVRETTAELLKIAKTNGIAIFIVGHVTKEGSIAGPRMLEHMVDTVLYFEGEQHHSFRILRAVKNRFGSTNEIGIFEMHEHGLEEVANPSQIFLEERLDGATGSAIVVAMEGTRPILVEIQALVTPTMFGNAKRTTTGLDFNRVSLIMAVLEKRAGLLLQNQDAYLKAAGGVKLNEPAIDLAIAVSIASSYKEKGTQPTECFIGEIGLTGEIRRVSHIEQRVKEVQKLGFTKVYLPKNNLGNWEAPKGIEIVGVATLAETLKRVFR
Consensus [pKd Mean = 5.50]	-	838 (s=0)	10 (s=0)	MIRIKGGGTMAKKSKVQFVCQNCGYVSPKFLGRCPNCGKWNTMVEEIEQDTTDRRTRTSLTGEKAKPTKIADVVPKKEPRIKTKLEELNRVLGGGVVPGSMVLIGGDPGIGKSTLLLQVSQQLAAIGGKVLYVSGEESAEQIKLRAERLGSINTEFYLYAETDMNEISRAIEHISPDYVIIDSIQTMTQPDITSVAGSVSQVRETTAELLKIAKTNGIAIFIVGHVTKEGSIAGPRMLEHMVDTVLYFEGEQHHSFRILRAVKNRFGSTNEIGIFEMHEHGLEEVANPSQIFLEERLDGATGSAIVVAMEGTRPILVEIQALVTPTMFGNAKRTTTGLDFNRVSLIMAVLEKRAGLLLQNQDAYLKAAGGVKLNEPAIDLAIAVSIASSYKEKGTQPTECFIGEIGLTGEIRRVSHIEQRVKEVQKLGFTKVYLPKNNLGNWEAPKGIEIVGVATLAETLKRVFR

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ILE	104	CG2	1	1	1[O],
PRO	108	CD	4	1	1[P], 3[O],
PRO	108	CG	4	1	1[P], 3[O],
ILE	110	CD1	6	1	5[O], 1[P],
ILE	110	CG1	9	1	1[C], 6[O], 2[P],
ILE	110	CG2	4	1	3[O], 1[P],
LYS	112	CG	9	1	2[P], 7[O],
LYS	112	CE	8	1	6[O], 2[P],
LYS	112	CD	7	1	5[O], 2[P],
LYS	112	NZ	9	1	2[P], 7[O],
SER	113	OG	14	1	4[C], 8[O], 2[P],
THR	114	CG2	19	1	10[C], 1[P], 6[O], 2[N],
THR	114	OG1	25	1	2[N], 10[C], 11[O], 2[P],
LEU	116	CD1	1	1	1[O],
LEU	117	CD1	7	1	3[C], 1[P], 3[O],
LEU	117	CG	2	1	1[C], 1[O],
GLN	118	CG	1	1	1[C],
GLN	118	CD	1	1	1[C],
GLN	118	OE1	3	1	2[C], 1[O],
GLU	136	CD	9	1	7[O], 2[P],
GLU	136	CG	4	1	3[O], 1[P],
GLU	136	OE2	7	1	5[O], 2[P],
GLU	136	OE1	11	1	2[P], 1[C], 8[O],
GLU	137	CD	16	1	8[O], 6[C], 2[P],
GLU	137	OE1	15	1	7[O], 6[C], 2[P],
GLU	137	OE2	18	1	1[N], 7[O], 8[C], 2[P],
GLU	137	CG	6	1	2[C], 1[P], 3[O],
GLN	141	CG	3	1	1[O], 2[C],
GLN	141	CD	3	1	1[O], 2[C],
GLN	141	OE1	4	1	2[C], 2[O],
LEU	144	CG	1	1	1[O],
LEU	144	CD2	5	1	3[C], 1[O], 1[N],
ARG	145	NE	22	1	2[N], 10[C], 9[O], 1[P],
ARG	145	CD	20	1	10[C], 7[O], 1[P], 2[N],
ARG	145	CG	19	1	2[N], 7[O], 9[C], 1[P],
ARG	145	CZ	25	1	2[P], 10[C], 11[O], 2[N],
ARG	148	CG	7	1	5[C], 1[O], 1[N],
ARG	148	NE	9	1	2[O], 5[C], 2[N],
ARG	148	CD	9	1	2[N], 2[O], 5[C],
ARG	148	CZ	9	1	2[N], 2[O], 5[C],
LEU	149	CD2	8	1	1[O], 5[C], 2[N],
LEU	149	CD1	8	1	2[N], 2[O], 4[C],
LEU	149	CG	7	1	4[C], 1[O], 2[N],
ASP	182	OD1	8	1	2[P], 6[O],
ASP	182	CG	8	1	2[P], 6[O],
ASP	182	OD2	7	1	2[P], 5[O],
VAL	223	CG1	6	1	5[O], 1[P],
VAL	223	CG2	3	1	2[O], 1[P],
HIS	225	ND1	5	1	4[O], 1[P],
HIS	225	NE2	10	1	1[C], 7[O], 2[P],
HIS	225	CD2	8	1	2[P], 6[O],
HIS	225	CE1	8	1	6[O], 2[P],
HIS	225	CG	5	1	4[O], 1[P],
PHE	248	CG	1	1	1[O],
PHE	248	CD2	5	1	4[O], 1[P],
PHE	248	CZ	1	1	1[O],
PHE	248	CE2	4	1	1[P], 3[O],
ARG	257	CZ	3	1	1[C], 2[O],
MET	277	SD	19	1	6[O], 10[C], 1[P], 2[N],
MET	277	CG	14	1	2[N], 4[O], 8[C],
MET	277	CE	24	1	2[N], 10[C], 2[P], 10[O],
GLU	279	CG	2	1	1[O], 1[N],
HIS	280	CD2	1	1	1[O],
HIS	280	ND1	1	1	1[O],
HIS	280	CG	2	1	1[O], 1[C],
LEU	282	CD1	3	1	2[O], 1[P],
LEU	282	CD2	1	1	1[O],
LEU	282	CG	3	1	1[C], 2[O],
Total = 68


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