Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_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 C1_S1
Complex: DYV_A_4(6BMY) / Model_11(6BMY/A) = [8.3]	Download	1508.87	39.00	MVRWFHRDLSGPDAETLLKGRGVPGSFLARPSRKNQGDFSLSVRVDDQVTHIRIQNSGDFYDLYGGEKFATLTELVEYYTQQQGILQDRDGTIIHLKYPLNCSDPTSERWYHGHISGGQAESLLQAKGEPWTFLVRESLSQPGDFVLSVLNDQPKAGPGSPLRVTHIKVMCEGGRYTVGGSETFDSLTDLVEHFKKTGIEEASGAFVYLRQPYYATRVNAADIENRVLELNKKQESEDTAKAGFWEEFESLQKQEVKNLHQRLEGQRPENKSKNRYKNILPFDHSRVILQGRDSNIPGSDYINANYVKNQLLGPDENSKTYIASQGCLDATVNDFWQMAWQENTRVIVMTTREVEKGRNKCVPYWPEVGTQRVYGLYSVTNSREHDTAEYKLRTLQISPLDNGDLVREIWHYQYLSWPDHGVPSEPGGVLSFLDQINQRQESLPHAGPIIVHCSAGIGRTGTIIVIDMLMESISTKGLDCDIDIQKTIQMVRAQRSGMVQTEAQYKFIYVAIAQFIETTKKKLEIIQSQKGQESEYGNITYPPAVRSAHAKASRTSSKHKEEVYENVHSKSKKEEKVKKQRSADKEKNKGSLKRK
Complex: DZS_A_4(6BMW) / Model_9(6BMW/A) = [7.6]	Download	1074.33	35.06	MVRWFHRDLSGPDAETLLKGRGVPGSFLARPSRKNQGDFSLSVRVDDQVTHIRIQNSGDFYDLYGGEKFATLTELVEYYTQQQGILQDRDGTIIHLKYPLNCSDPTSERWYHGHISGGQAESLLQAKGEPWTFLVRESLSQPGDFVLSVLNDQPKAGPGSPLRVTHIKVMCEGGRYTVGGSETFDSLTDLVEHFKKTGIEEASGAFVYLRQPYYATRVNAADIENRVLELNKKQESEDTAKAGFWEEFESLQKQEVKNLHQRLEGQRPENKSKNRYKNILPFDHSRVILQGRDSNIPGSDYINANYVKNQLLGPDENSKTYIASQGCLDATVNDFWQMAWQENTRVIVMTTREVEKGRNKCVPYWPEVGTQRVYGLYSVTNSREHDTAEYKLRTLQISPLDNGDLVREIWHYQYLSWPDHGVPSEPGGVLSFLDQINQRQESLPHAGPIIVHCSAGIGRTGTIIVIDMLMESISTKGLDCDIDIQKTIQMVRAQRSGMVQTEAQYKFIYVAIAQFIETTKKKLEIIQSQKGQESEYGNITYPPAVRSAHAKASRTSSKHKEEVYENVHSKSKKEEKVKKQRSADKEKNKGSLKRK
Complex: DZV_A_3(6BMR) / Model_6(6BMR/A) = [7.4]	Download	1390.32	36.35	MVRWFHRDLSGPDAETLLKGRGVPGSFLARPSRKNQGDFSLSVRVDDQVTHIRIQNSGDFYDLYGGEKFATLTELVEYYTQQQGILQDRDGTIIHLKYPLNCSDPTSERWYHGHISGGQAESLLQAKGEPWTFLVRESLSQPGDFVLSVLNDQPKAGPGSPLRVTHIKVMCEGGRYTVGGSETFDSLTDLVEHFKKTGIEEASGAFVYLRQPYYATRVNAADIENRVLELNKKQESEDTAKAGFWEEFESLQKQEVKNLHQRLEGQRPENKSKNRYKNILPFDHSRVILQGRDSNIPGSDYINANYVKNQLLGPDENSKTYIASQGCLDATVNDFWQMAWQENTRVIVMTTREVEKGRNKCVPYWPEVGTQRVYGLYSVTNSREHDTAEYKLRTLQISPLDNGDLVREIWHYQYLSWPDHGVPSEPGGVLSFLDQINQRQESLPHAGPIIVHCSAGIGRTGTIIVIDMLMESISTKGLDCDIDIQKTIQMVRAQRSGMVQTEAQYKFIYVAIAQFIETTKKKLEIIQSQKGQESEYGNITYPPAVRSAHAKASRTSSKHKEEVYENVHSKSKKEEKVKKQRSADKEKNKGSLKRK
Consensus [pKd Mean = 7.77]	-	1324 (s=183)	36 (s=1)	MVRWFHRDLSGPDAETLLKGRGVPGSFLARPSRKNQGDFSLSVRVDDQVTHIRIQNSGDFYDLYGGEKFATLTELVEYYTQQQGILQDRDGTIIHLKYPLNCSDPTSERWYHGHISGGQAESLLQAKGEPWTFLVRESLSQPGDFVLSVLNDQPKAGPGSPLRVTHIKVMCEGGRYTVGGSETFDSLTDLVEHFKKTGIEEASGAFVYLRQPYYATRVNAADIENRVLELNKKQESEDTAKAGFWEEFESLQKQEVKNLHQRLEGQRPENKSKNRYKNILPFDHSRVILQGRDSNIPGSDYINANYVKNQLLGPDENSKTYIASQGCLDATVNDFWQMAWQENTRVIVMTTREVEKGRNKCVPYWPEVGTQRVYGLYSVTNSREHDTAEYKLRTLQISPLDNGDLVREIWHYQYLSWPDHGVPSEPGGVLSFLDQINQRQESLPHAGPIIVHCSAGIGRTGTIIVIDMLMESISTKGLDCDIDIQKTIQMVRAQRSGMVQTEAQYKFIYVAIAQFIETTKKKLEIIQSQKGQESEYGNITYPPAVRSAHAKASRTSSKHKEEVYENVHSKSKKEEKVKKQRSADKEKNKGSLKRK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
GLU	67	CG	1	3	1[O],
PHE	69	CZ	18	3	3[O], 13[C],
PHE	69	CD2	8	3	1[O], 6[C],
PHE	69	CE2	12	3	1[N], 1[O], 9[C],
PHE	69	CE1	21	3	2[N], 2[O], 17[C],
PHE	69	CG	6	3	4[C],
PHE	69	CD1	13	3	10[C], 2[O],
GLU	74	CD	24	3	9[N], 3[O], 12[C],
GLU	74	CG	28	3	6[O], 10[N], 12[C],
GLU	74	OE2	21	3	9[N], 3[O], 9[C],
GLU	74	OE1	21	3	6[N], 14[C],
GLU	77	CG	66	3	46[C], 12[N], 8[O],
GLU	77	OE1	68	3	8[O], 12[N], 48[C],
GLU	77	OE2	77	3	12[N], 8[O], 57[C],
GLU	77	CD	76	3	56[C], 8[O], 12[N],
TYR	78	CD1	63	3	10[N], 6[O], 46[C],
TYR	78	CE1	54	3	6[N], 6[O], 41[C],
TYR	78	CE2	41	3	30[C], 4[N], 6[O],
TYR	78	CD2	46	3	35[C], 6[O], 4[N],
TYR	78	CG	56	3	6[O], 6[N], 43[C],
TYR	78	CZ	43	3	32[C], 6[O], 4[N],
THR	80	OG1	12	3	2[O], 10[C],
THR	80	CG2	2	3	2[C],
GLN	81	CG	50	3	4[O], 6[N], 40[C],
GLN	81	NE2	24	3	3[O], 21[C],
GLN	81	OE1	31	3	22[C], 6[N], 3[O],
GLN	81	CD	35	3	3[O], 6[N], 26[C],
GLN	82	CD	48	3	4[N], 6[O], 38[C],
GLN	82	NE2	55	3	6[O], 4[N], 45[C],
GLN	82	CG	53	3	42[C], 6[O], 4[N],
GLN	82	OE1	30	3	23[C], 6[O], 1[N],
ILE	85	CG1	6	3	3[C], 2[O], 1[N],
ILE	85	CG2	3	3	2[O], 1[C],
ILE	85	CD1	13	3	3[O], 1[N], 9[C],
LEU	259	CD2	49	3	8[O], 12[N], 29[C],
LEU	259	CG	33	3	25[C], 3[N], 5[O],
LEU	259	CD1	29	3	22[C], 5[O], 2[N],
HIS	260	CD2	8	3	5[O], 3[C],
HIS	260	ND1	16	3	11[C], 5[O],
HIS	260	CE1	5	3	2[O], 3[C],
HIS	260	CG	14	3	5[O], 9[C],
HIS	260	NE2	2	3	1[O], 1[C],
GLN	261	CG	52	3	12[N], 7[O], 33[C],
GLN	261	CD	47	3	31[C], 9[N], 7[O],
GLN	261	OE1	39	3	24[C], 8[N], 7[O],
GLN	261	NE2	45	3	29[C], 7[O], 9[N],
ARG	262	NE	77	3	8[O], 12[N], 56[C],
ARG	262	CZ	86	3	65[C], 8[O], 12[N],
ARG	262	CD	64	3	44[C], 12[N], 7[O],
ARG	262	CG	54	3	38[C], 12[N], 3[O],
LEU	263	CD2	16	3	3[N], 2[O], 11[C],
LEU	263	CD1	34	3	2[O], 9[N], 23[C],
LEU	263	CG	22	3	14[C], 2[O], 6[N],
GLN	266	CG	69	3	49[C], 5[O], 13[N],
GLN	266	CD	82	3	61[C], 13[N], 6[O],
GLN	266	OE1	81	3	7[O], 13[N], 59[C],
GLN	266	NE2	93	3	71[C], 8[O], 13[N],
PRO	268	CG	2	3	2[C],
PRO	268	CD	2	3	2[C],
LYS	271	CD	13	3	2[O], 1[N], 10[C],
LYS	271	CE	18	3	1[N], 3[O], 14[C],
LYS	271	CG	10	3	8[C], 1[N], 1[O],
LYS	271	NZ	17	3	3[O], 1[N], 12[C],
ASN	274	ND2	3	3	2[C], 1[O],
LYS	277	NZ	14	3	10[C], 1[N], 3[O],
LYS	277	CG	16	3	2[O], 12[C],
LYS	277	CE	16	3	3[O], 12[C],
LYS	277	CD	15	3	10[C], 3[O], 1[N],
ASN	278	CG	37	3	4[N], 6[O], 26[C],
ASN	278	ND2	33	3	5[O], 1[N], 25[C],
ASN	278	OD1	41	3	30[C], 4[N], 6[O],
ILE	279	CG1	3	3	3[C],
LEU	280	CD2	29	3	24[C], 1[O], 3[N],
LEU	280	CG	38	3	1[O], 9[N], 27[C],
LEU	280	CD1	52	3	4[O], 13[N], 34[C],
PHE	282	CE1	12	3	3[C], 6[N], 3[O],
PHE	282	CD1	12	3	3[C], 3[O], 6[N],
ASP	283	OD1	7	3	6[N], 1[C],
ASP	283	CG	22	3	14[C], 2[O], 6[N],
ASP	283	OD2	32	3	22[C], 6[N], 4[O],
Total = 80


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