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: AMP_C_7(2DEU) / Model_3(2DEU/A) = [4.9]	Download	789.83	14.17	MQQRVIVGMSGGVDSSVSAALLLQQGYQVEGLFMKNWEEDDGTEYCTAMEDLADAQAVADKIGIKLHTANFAMEYWDRVFEHFLAEYAAGRTPNPDILCNKEIKFRAFLDHAMTLGADFIATGHYARRAETAYNSKGEAYAPLLRGLDNNKDQTYFLHAVHGREINKTLFPVGEIEKPEVRRIAEELDLATAKKKDSTGICFIGERRFNDFLKQYLPAQPGKIVLDNGKEVGEHHGLMYYTLGQRGGIGLGGMKGASEGAWFVLHKDVTNNRLVVGQGHDHPLMQSTQLWSESIDWVAGEQNIPAEGLRCTAKTRYRQPDQACTVFIDENSEHGVRVEFDEPQRAVTPGQSVVFYSDEVCLGGGVIHHTNAPTPNFI
Consensus [pKd Mean = 4.90]	-	789 (s=0)	14 (s=0)	MQQRVIVGMSGGVDSSVSAALLLQQGYQVEGLFMKNWEEDDGTEYCTAMEDLADAQAVADKIGIKLHTANFAMEYWDRVFEHFLAEYAAGRTPNPDILCNKEIKFRAFLDHAMTLGADFIATGHYARRAETAYNSKGEAYAPLLRGLDNNKDQTYFLHAVHGREINKTLFPVGEIEKPEVRRIAEELDLATAKKKDSTGICFIGERRFNDFLKQYLPAQPGKIVLDNGKEVGEHHGLMYYTLGQRGGIGLGGMKGASEGAWFVLHKDVTNNRLVVGQGHDHPLMQSTQLWSESIDWVAGEQNIPAEGLRCTAKTRYRQPDQACTVFIDENSEHGVRVEFDEPQRAVTPGQSVVFYSDEVCLGGGVIHHTNAPTPNFI

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
VAL	7	CG2	1	1	1[O],
VAL	7	CG1	1	1	1[O],
MET	9	CG	5	1	2[N], 3[C],
MET	9	CE	8	1	4[C], 2[N], 2[O],
MET	9	SD	2	1	1[C], 1[N],
SER	10	OG	22	1	5[N], 10[C], 6[O], 1[P],
ASP	14	CG	8	1	3[C], 1[P], 4[O],
ASP	14	OD1	8	1	1[P], 4[O], 3[C],
ASP	14	OD2	8	1	3[C], 4[O], 1[P],
SER	15	OG	22	1	6[O], 1[P], 10[C], 5[N],
SER	18	OG	4	1	2[O], 2[C],
LEU	32	CG	4	1	2[N], 2[C],
LEU	32	CD2	7	1	3[N], 4[C],
LEU	32	CD1	3	1	2[N], 1[C],
PHE	33	CE1	10	1	5[N], 5[C],
PHE	33	CE2	6	1	3[N], 3[C],
PHE	33	CD2	8	1	4[C], 4[N],
PHE	33	CD1	10	1	5[N], 5[C],
PHE	33	CG	8	1	4[N], 4[C],
PHE	33	CZ	8	1	4[C], 4[N],
MET	34	CE	16	1	5[N], 9[C], 2[O],
MET	34	CG	11	1	5[N], 6[C],
MET	34	SD	13	1	1[O], 7[C], 5[N],
LYS	35	CG	1	1	1[N],
LYS	35	CD	1	1	1[N],
ASN	36	OD1	10	1	5[C], 5[N],
ASN	36	CG	7	1	3[N], 4[C],
ASN	36	ND2	5	1	3[C], 2[N],
ASP	51	OD2	6	1	3[C], 2[N], 1[O],
ASP	51	CG	1	1	1[N],
LEU	52	CD1	3	1	2[N], 1[C],
LEU	66	CD1	2	1	1[C], 1[N],
ASP	96	CG	2	1	1[P], 1[O],
ASP	96	OD2	5	1	1[C], 3[O], 1[P],
CYS	99	SG	7	1	2[N], 3[C], 2[O],
ASN	100	ND2	4	1	2[O], 2[C],
ASN	100	CG	5	1	2[O], 3[C],
ASN	100	OD1	11	1	1[P], 3[O], 1[N], 6[C],
ILE	103	CG2	2	1	1[C], 1[N],
LYS	104	CE	19	1	10[C], 5[N], 3[O], 1[P],
LYS	104	CG	19	1	5[N], 10[C], 4[O],
LYS	104	NZ	18	1	3[N], 9[C], 1[P], 5[O],
LYS	104	CD	22	1	6[O], 1[P], 10[C], 5[N],
PHE	105	CE2	5	1	3[C], 2[O],
PHE	105	CZ	5	1	3[C], 2[O],
PHE	105	CE1	1	1	1[O],
PHE	105	CD2	3	1	1[C], 2[O],
PHE	108	CD2	4	1	2[N], 2[C],
PHE	108	CE1	10	1	1[O], 6[C], 3[N],
PHE	108	CG	6	1	1[O], 2[N], 3[C],
PHE	108	CD1	9	1	1[O], 5[C], 3[N],
PHE	108	CZ	10	1	6[C], 3[N], 1[O],
PHE	108	CE2	5	1	2[N], 2[C], 1[O],
ILE	120	CG1	1	1	1[O],
THR	122	CG2	16	1	9[C], 3[N], 4[O],
THR	122	OG1	11	1	4[O], 5[C], 2[N],
HIS	124	CG	13	1	6[C], 1[N], 5[O], 1[P],
HIS	124	ND1	12	1	5[C], 1[N], 1[P], 5[O],
HIS	124	CE1	14	1	5[O], 1[P], 7[C], 1[N],
HIS	124	CD2	17	1	7[C], 3[N], 6[O], 1[P],
HIS	124	NE2	18	1	6[O], 1[P], 3[N], 8[C],
GLN	153	CD	9	1	5[O], 1[P], 3[C],
GLN	153	NE2	9	1	3[C], 5[O], 1[P],
GLN	153	OE1	9	1	3[C], 1[P], 5[O],
GLN	153	CG	4	1	1[C], 1[P], 2[O],
PHE	170	CE2	1	1	1[O],
PHE	170	CD2	1	1	1[O],
PRO	171	CG	1	1	1[O],
PRO	171	CD	1	1	1[O],
VAL	172	CG2	1	1	1[O],
VAL	172	CG1	1	1	1[O],
LYS	177	NZ	1	1	1[O],
ASP	196	OD2	1	1	1[O],
ASP	196	CG	3	1	1[P], 2[O],
ASP	196	OD1	5	1	1[C], 3[O], 1[P],
SER	197	OG	7	1	3[O], 1[P], 2[C], 1[N],
CYS	201	SG	18	1	9[C], 4[N], 1[P], 4[O],
PHE	202	CD1	10	1	5[N], 5[C],
PHE	202	CD2	18	1	1[P], 3[O], 5[N], 9[C],
PHE	202	CE1	12	1	5[N], 6[C], 1[O],
PHE	202	CZ	15	1	8[C], 5[N], 2[O],
PHE	202	CG	13	1	2[O], 5[N], 6[C],
PHE	202	CE2	20	1	10[C], 5[N], 4[O], 1[P],
GLU	205	OE2	1	1	1[O],
Total = 84


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