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] : 1 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: TYD_C_8(5LKM) / Model_23(5LKM/C) = [5.5]	Download	1010.41	15.60	MSKVKTVYRCEQCGADHLKWAGQCSECGEWNCLNEVKLEPTTAHRARPKVGGYAGQVANITTLNKVSVSHETRLPTGISEFDRVLGGGLVTGSVVLIGGDPGIGKSTILLQTATHMASAKSSALYITGEESLSQVALRAQRLDLPTDQLKVMAETCVERICEVLEQERPVVAILDSIQTLYTETLQSAPGGVSQIRESAALLTRYAKNSGTALFIVGHVTKEGALAGPRVLEHMVDCVLYFEGQSDSRYRMIRAVKNRFGAVNELGVFGMTDKGLREVANPSAIFLSRYDEAIPGSIVMISREGTRPLLVEVQALVDDAQGQPRRVALGLEQNRLNMLLAVMHRHGGVQTTGQDVYVNIVGGLKITETGSDLAVLLACASSLRTKALPQQLAVFGEVGLSGEIRPVPNGQERLKEAAKHGFKYVILPRGNAPQKAIPGVQVIAVARLHEALTEAMQLSDELT
Consensus [pKd Mean = 5.50]	-	1010 (s=0)	15 (s=0)	MSKVKTVYRCEQCGADHLKWAGQCSECGEWNCLNEVKLEPTTAHRARPKVGGYAGQVANITTLNKVSVSHETRLPTGISEFDRVLGGGLVTGSVVLIGGDPGIGKSTILLQTATHMASAKSSALYITGEESLSQVALRAQRLDLPTDQLKVMAETCVERICEVLEQERPVVAILDSIQTLYTETLQSAPGGVSQIRESAALLTRYAKNSGTALFIVGHVTKEGALAGPRVLEHMVDCVLYFEGQSDSRYRMIRAVKNRFGAVNELGVFGMTDKGLREVANPSAIFLSRYDEAIPGSIVMISREGTRPLLVEVQALVDDAQGQPRRVALGLEQNRLNMLLAVMHRHGGVQTTGQDVYVNIVGGLKITETGSDLAVLLACASSLRTKALPQQLAVFGEVGLSGEIRPVPNGQERLKEAAKHGFKYVILPRGNAPQKAIPGVQVIAVARLHEALTEAMQLSDELT

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ILE	97	CG2	1	1	1[O],
PRO	101	CG	4	1	1[P], 3[O],
PRO	101	CD	4	1	1[P], 3[O],
ILE	103	CG2	4	1	1[P], 3[O],
ILE	103	CG1	9	1	2[P], 6[O], 1[C],
ILE	103	CD1	6	1	1[P], 5[O],
LYS	105	CG	9	1	2[P], 7[O],
LYS	105	CD	7	1	2[P], 5[O],
LYS	105	CE	8	1	2[P], 6[O],
LYS	105	NZ	9	1	7[O], 2[P],
SER	106	OG	14	1	4[C], 8[O], 2[P],
THR	107	OG1	25	1	2[P], 2[N], 10[C], 11[O],
THR	107	CG2	19	1	2[N], 1[P], 10[C], 6[O],
ILE	108	CD1	1	1	1[O],
ILE	108	CG1	2	1	2[O],
LEU	109	CD1	1	1	1[O],
LEU	110	CD1	7	1	3[C], 3[O], 1[P],
LEU	110	CG	2	1	1[C], 1[O],
GLN	111	CG	1	1	1[C],
GLN	111	CD	1	1	1[C],
GLN	111	OE1	3	1	1[O], 2[C],
GLU	129	CD	9	1	2[P], 7[O],
GLU	129	OE1	11	1	2[P], 8[O], 1[C],
GLU	129	OE2	7	1	5[O], 2[P],
GLU	129	CG	4	1	1[P], 3[O],
GLU	130	OE1	15	1	2[P], 7[O], 6[C],
GLU	130	CG	6	1	2[C], 3[O], 1[P],
GLU	130	OE2	18	1	2[P], 1[N], 7[O], 8[C],
GLU	130	CD	16	1	2[P], 8[O], 6[C],
GLN	134	CD	3	1	2[C], 1[O],
GLN	134	CG	3	1	2[C], 1[O],
GLN	134	OE1	4	1	2[O], 2[C],
LEU	137	CD2	5	1	1[O], 3[C], 1[N],
LEU	137	CG	1	1	1[O],
ARG	138	CG	19	1	1[P], 2[N], 7[O], 9[C],
ARG	138	CD	20	1	10[C], 7[O], 2[N], 1[P],
ARG	138	CZ	25	1	2[P], 2[N], 10[C], 11[O],
ARG	138	NE	22	1	1[P], 2[N], 10[C], 9[O],
ARG	141	NE	9	1	2[O], 5[C], 2[N],
ARG	141	CD	9	1	2[N], 2[O], 5[C],
ARG	141	CG	7	1	1[N], 5[C], 1[O],
ARG	141	CZ	9	1	2[O], 5[C], 2[N],
LEU	142	CD2	8	1	2[N], 5[C], 1[O],
LEU	142	CG	7	1	2[N], 4[C], 1[O],
LEU	142	CD1	8	1	4[C], 2[O], 2[N],
ASP	175	OD1	8	1	6[O], 2[P],
ASP	175	CG	8	1	2[P], 6[O],
ASP	175	OD2	7	1	2[P], 5[O],
VAL	216	CG2	3	1	1[P], 2[O],
VAL	216	CG1	6	1	1[P], 5[O],
HIS	218	ND1	5	1	1[P], 4[O],
HIS	218	CD2	8	1	6[O], 2[P],
HIS	218	CG	5	1	4[O], 1[P],
HIS	218	CE1	8	1	6[O], 2[P],
HIS	218	NE2	10	1	2[P], 7[O], 1[C],
PHE	241	CG	1	1	1[O],
PHE	241	CE2	4	1	3[O], 1[P],
PHE	241	CD2	5	1	4[O], 1[P],
PHE	241	CZ	1	1	1[O],
ARG	250	CZ	3	1	1[C], 2[O],
MET	270	SD	19	1	10[C], 6[O], 1[P], 2[N],
MET	270	CE	24	1	2[P], 2[N], 10[C], 10[O],
MET	270	CG	14	1	2[N], 8[C], 4[O],
THR	271	OG1	1	1	1[O],
ASP	272	OD1	5	1	2[C], 2[O], 1[N],
ASP	272	CG	4	1	1[C], 2[O], 1[N],
LYS	273	CG	2	1	1[O], 1[C],
LEU	275	CG	3	1	1[C], 2[O],
LEU	275	CD1	3	1	1[P], 2[O],
LEU	275	CD2	1	1	1[O],
Total = 70


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