Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C6_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 C6_S1
Complex: GDP_A_3(4KYU) / Model_7(4KYU/A) = [6.5]	Download	760.93	3.41	MKPVIALIGRPNVGKSTLFNQITKSRDALVADFAGLTRDRKYGDATYQNKSFIVVDTGGIGESEGGIDNYMAEQSKTAINEADIIIFVVDARAGLLASDEQIARELRTLGKKIYLVANKVDGVHAEAALVEFYKLGLGEPLQVAASHGRGVQQMLEDVLQDIPEDENPEEHDKDTGLRLAIIGRPNVGKSTLVNRLLGEDRVVAFDQPGTTRDSIYIPFEREGRKYTLIDTAGVRRKGKVDEMIEKFSIVKTLQAMKDAHVVVVVVDAREGIVEQDLHLIGYALEAGRAMVIAINKWDNMSEYDRKQCKLDVERRFDFIPWARIHLISALHGTGVGELYPSIHRAYESANLKVSPAKLTQILNDATDQHQPPTVQGRRIKMRYAHMGGQNPPTIVIHGNKVDKTPADYRRYLENVFRKVYKLEGTPVKIEFKTSENPFEGRKSQVDERTAARRRRYIQKFKKAEKKFKR
Consensus [pKd Mean = 6.50]	-	760 (s=0)	3 (s=0)	MKPVIALIGRPNVGKSTLFNQITKSRDALVADFAGLTRDRKYGDATYQNKSFIVVDTGGIGESEGGIDNYMAEQSKTAINEADIIIFVVDARAGLLASDEQIARELRTLGKKIYLVANKVDGVHAEAALVEFYKLGLGEPLQVAASHGRGVQQMLEDVLQDIPEDENPEEHDKDTGLRLAIIGRPNVGKSTLVNRLLGEDRVVAFDQPGTTRDSIYIPFEREGRKYTLIDTAGVRRKGKVDEMIEKFSIVKTLQAMKDAHVVVVVVDAREGIVEQDLHLIGYALEAGRAMVIAINKWDNMSEYDRKQCKLDVERRFDFIPWARIHLISALHGTGVGELYPSIHRAYESANLKVSPAKLTQILNDATDQHQPPTVQGRRIKMRYAHMGGQNPPTIVIHGNKVDKTPADYRRYLENVFRKVYKLEGTPVKIEFKTSENPFEGRKSQVDERTAARRRRYIQKFKKAEKKFKR

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
GLY	9	O	1	1	1[O],
ARG	10	O	3	1	2[O], 1[P],
ARG	10	C	3	1	2[O], 1[P],
PRO	11	C	5	1	4[O], 1[P],
PRO	11	CB	3	1	2[O], 1[P],
PRO	11	CG	1	1	1[O],
PRO	11	CA	5	1	1[P], 4[O],
PRO	11	N	3	1	2[O], 1[P],
PRO	11	O	3	1	1[P], 2[O],
ASN	12	OD1	14	1	1[N], 2[P], 5[C], 6[O],
ASN	12	CG	6	1	4[O], 2[C],
ASN	12	C	10	1	6[O], 2[P], 2[C],
ASN	12	CB	8	1	2[C], 1[P], 5[O],
ASN	12	N	9	1	1[C], 2[P], 6[O],
ASN	12	CA	11	1	2[P], 2[C], 7[O],
ASN	12	O	8	1	5[O], 2[C], 1[P],
ASN	12	ND2	3	1	2[C], 1[O],
VAL	13	N	8	1	5[O], 1[C], 2[P],
VAL	13	O	5	1	1[N], 1[P], 1[C], 2[O],
VAL	13	CG1	1	1	1[O],
VAL	13	C	12	1	2[C], 1[N], 2[P], 7[O],
VAL	13	CB	3	1	2[O], 1[P],
VAL	13	CA	7	1	1[C], 2[P], 4[O],
VAL	13	CG2	3	1	1[P], 2[O],
GLY	14	N	17	1	8[O], 2[N], 2[P], 5[C],
GLY	14	O	10	1	2[P], 1[N], 1[C], 6[O],
GLY	14	CA	19	1	2[N], 2[P], 7[C], 8[O],
GLY	14	C	12	1	7[O], 2[C], 1[N], 2[P],
LYS	15	N	9	1	2[P], 7[O],
LYS	15	O	4	1	3[O], 1[P],
LYS	15	CG	5	1	1[P], 4[O],
LYS	15	CE	4	1	3[O], 1[P],
LYS	15	NZ	5	1	4[O], 1[P],
LYS	15	CD	3	1	2[O], 1[P],
LYS	15	C	7	1	5[O], 2[P],
LYS	15	CA	7	1	2[P], 5[O],
LYS	15	CB	7	1	2[P], 5[O],
SER	16	CA	7	1	5[O], 2[P],
SER	16	N	9	1	7[O], 2[P],
SER	16	C	5	1	4[O], 1[P],
SER	16	O	1	1	1[O],
SER	16	OG	10	1	2[P], 1[C], 7[O],
SER	16	CB	8	1	2[P], 6[O],
THR	17	CA	6	1	3[O], 1[N], 1[C], 1[P],
THR	17	OG1	17	1	6[O], 2[N], 8[C], 1[P],
THR	17	C	1	1	1[O],
THR	17	CB	13	1	5[O], 2[N], 5[C], 1[P],
THR	17	N	8	1	5[O], 1[C], 2[P],
THR	17	CG2	12	1	2[N], 1[P], 5[C], 4[O],
THR	17	O	1	1	1[O],
LEU	18	N	1	1	1[O],
ARG	38	CG	1	1	1[O],
ARG	38	CZ	10	1	7[O], 2[P], 1[C],
ARG	38	CD	7	1	2[P], 5[O],
ARG	38	CB	1	1	1[O],
ARG	38	NE	8	1	6[O], 2[P],
ASP	39	OD2	1	1	1[O],
ASP	56	OD1	1	1	1[O],
ASP	56	CG	1	1	1[O],
ASP	56	OD2	2	1	1[P], 1[O],
ARG	92	NE	4	1	1[C], 3[N],
ARG	92	CD	3	1	2[N], 1[C],
ARG	92	CZ	2	1	1[N], 1[C],
ARG	92	CG	1	1	1[N],
ASN	118	CG	6	1	3[C], 2[N], 1[O],
ASN	118	C	4	1	2[C], 1[N], 1[O],
ASN	118	CB	4	1	1[N], 2[C], 1[O],
ASN	118	OD1	7	1	1[O], 2[N], 4[C],
ASN	118	ND2	5	1	1[O], 3[C], 1[N],
ASN	118	O	1	1	1[O],
ASN	118	CA	2	1	1[O], 1[C],
LYS	119	CG	13	1	5[N], 6[C], 2[O],
LYS	119	C	6	1	3[C], 2[N], 1[O],
LYS	119	CA	9	1	4[C], 4[N], 1[O],
LYS	119	CB	10	1	4[C], 5[N], 1[O],
LYS	119	N	9	1	4[C], 4[N], 1[O],
LYS	119	O	5	1	1[O], 2[C], 2[N],
LYS	119	CD	14	1	7[C], 5[N], 2[O],
LYS	119	CE	18	1	3[O], 10[C], 5[N],
LYS	119	NZ	17	1	3[O], 5[N], 9[C],
VAL	120	O	1	1	1[O],
VAL	120	N	3	1	1[N], 1[C], 1[O],
VAL	120	C	1	1	1[O],
ASP	121	OD2	8	1	3[N], 4[C], 1[O],
ASP	121	N	2	1	1[N], 1[O],
ASP	121	CG	7	1	1[O], 3[N], 3[C],
ASP	121	CB	5	1	1[O], 2[N], 2[C],
ASP	121	OD1	8	1	1[O], 3[N], 4[C],
ASP	121	CA	2	1	1[O], 1[N],
VAL	143	C	1	1	1[O],
VAL	143	O	2	1	1[C], 1[O],
ALA	144	N	2	1	1[C], 1[O],
ALA	144	O	2	1	1[C], 1[O],
ALA	144	CA	5	1	2[N], 2[C], 1[O],
ALA	144	CB	4	1	1[O], 1[N], 2[C],
ALA	144	C	5	1	2[C], 2[N], 1[O],
ALA	145	N	7	1	2[N], 4[C], 1[O],
ALA	145	O	4	1	2[C], 1[N], 1[O],
ALA	145	CB	7	1	2[N], 4[C], 1[O],
ALA	145	CA	6	1	3[C], 2[N], 1[O],
ALA	145	C	7	1	4[C], 2[N], 1[O],
SER	146	CB	13	1	2[O], 6[C], 5[N],
SER	146	C	4	1	1[O], 1[N], 2[C],
SER	146	N	10	1	4[N], 5[C], 1[O],
SER	146	CA	10	1	1[O], 5[C], 4[N],
SER	146	OG	11	1	5[C], 5[N], 1[O],
HIS	147	N	3	1	1[O], 1[C], 1[N],
HIS	147	CB	1	1	1[O],
HIS	147	CE1	5	1	2[N], 2[C], 1[O],
HIS	147	CG	2	1	1[N], 1[O],
HIS	147	ND1	5	1	1[O], 2[N], 2[C],
HIS	147	CA	1	1	1[O],
Total = 112


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