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_A_2(4EYS) / Model_24(4EYS/A) = [5.0]	Download	984.46	6.20	MVSTIGIVSLSSGIIGEDFVKHEVDLGIQRLKDLGLNPIFLPHSLKGLDFIKDHPEARAEDLIHAFSDDSIDMILCAIGGDDTYRLLPYLFENDQLQKVIKQKIFLGFSDTTMNHLMLHKLGIKTFYGQSFLADICELDKEMLAYSLHYFKELIETGRISEIRPSDVWYEERTDFSPTALGTPRVSHTNTGFDLLQGSAQFEGKILGGCLESLYDIFDNSRYADSTELCQKYKLFPDLSDWEGKILLLETSEEKSKPEDFKKMLLTLKDTGIFAVINGLLVGKPMDETFHDDYKEALLDIIDSNIPIVYNLNVGHATPRAIVPFGVHAHVDAQEQVIRFDYNK
Consensus [pKd Mean = 5.00]	-	984 (s=0)	6 (s=0)	MVSTIGIVSLSSGIIGEDFVKHEVDLGIQRLKDLGLNPIFLPHSLKGLDFIKDHPEARAEDLIHAFSDDSIDMILCAIGGDDTYRLLPYLFENDQLQKVIKQKIFLGFSDTTMNHLMLHKLGIKTFYGQSFLADICELDKEMLAYSLHYFKELIETGRISEIRPSDVWYEERTDFSPTALGTPRVSHTNTGFDLLQGSAQFEGKILGGCLESLYDIFDNSRYADSTELCQKYKLFPDLSDWEGKILLLETSEEKSKPEDFKKMLLTLKDTGIFAVINGLLVGKPMDETFHDDYKEALLDIIDSNIPIVYNLNVGHATPRAIVPFGVHAHVDAQEQVIRFDYNK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
SER	11	OG	2	1	2[O],
SER	12	OG	1	1	1[O],
ILE	14	CD1	11	1	1[O], 5[C], 5[N],
ILE	14	CG2	9	1	1[O], 4[C], 4[N],
ILE	14	CG1	7	1	4[C], 3[N],
ILE	15	CG2	1	1	1[N],
PHE	19	CE1	1	1	1[N],
PHE	19	CG	1	1	1[N],
PHE	19	CE2	4	1	2[C], 2[N],
PHE	19	CZ	3	1	2[N], 1[C],
PHE	19	CD2	2	1	1[C], 1[N],
VAL	20	CG1	9	1	5[C], 4[N],
VAL	20	CG2	4	1	2[N], 2[C],
HIS	22	NE2	3	1	2[N], 1[C],
HIS	22	CE1	3	1	2[N], 1[C],
GLU	23	CG	8	1	4[C], 4[N],
GLU	23	OE2	10	1	5[C], 5[N],
GLU	23	OE1	11	1	6[C], 5[N],
GLU	23	CD	10	1	5[C], 5[N],
ILE	78	CG2	12	1	1[P], 2[N], 4[C], 5[O],
ILE	78	CD1	23	1	7[O], 1[P], 5[N], 10[C],
ILE	78	CG1	23	1	5[N], 10[C], 1[P], 7[O],
PHE	108	CE1	12	1	5[C], 1[P], 6[O],
PHE	108	CG	10	1	3[C], 1[P], 6[O],
PHE	108	CZ	16	1	6[C], 2[N], 1[P], 7[O],
PHE	108	CD1	10	1	3[C], 1[P], 6[O],
PHE	108	CE2	14	1	1[P], 5[C], 1[N], 7[O],
PHE	108	CD2	11	1	1[P], 4[C], 6[O],
SER	109	OG	11	1	6[O], 1[P], 4[C],
ASP	110	CG	1	1	1[O],
THR	111	OG1	2	1	1[O], 1[P],
SER	130	OG	16	1	1[P], 2[N], 7[C], 6[O],
LEU	132	CG	16	1	9[C], 5[N], 2[O],
LEU	132	CD1	12	1	1[O], 6[C], 5[N],
LEU	132	CD2	19	1	4[O], 5[N], 9[C], 1[P],
ASP	134	OD2	7	1	1[N], 4[C], 2[O],
ASP	134	CG	4	1	2[C], 1[N], 1[O],
ASP	134	OD1	4	1	2[C], 2[O],
CYS	136	SG	2	1	1[N], 1[C],
GLU	137	OE1	2	1	1[N], 1[C],
GLU	137	CD	1	1	1[C],
LEU	138	CD1	7	1	3[N], 4[C],
LEU	138	CD2	4	1	2[N], 2[C],
LEU	138	CG	5	1	3[N], 2[C],
GLU	171	OE2	20	1	4[O], 1[P], 5[N], 10[C],
GLU	171	OE1	17	1	3[O], 10[C], 4[N],
GLU	171	CG	17	1	3[O], 4[N], 10[C],
GLU	171	CD	18	1	4[O], 10[C], 4[N],
ARG	172	CG	4	1	2[N], 2[C],
ARG	172	CD	6	1	2[N], 4[C],
ARG	172	NE	3	1	1[C], 2[N],
PHE	175	CD1	14	1	5[N], 7[C], 2[O],
PHE	175	CZ	17	1	9[C], 5[N], 3[O],
PHE	175	CE2	17	1	3[O], 5[N], 9[C],
PHE	175	CE1	17	1	5[N], 9[C], 3[O],
PHE	175	CG	14	1	2[O], 7[C], 5[N],
PHE	175	CD2	14	1	7[C], 5[N], 2[O],
ARG	184	NE	2	1	1[N], 1[C],
ARG	184	CZ	8	1	2[O], 3[N], 3[C],
CYS	209	SG	1	1	1[O],
GLU	249	OE1	2	1	2[O],
GLU	249	OE2	3	1	2[O], 1[C],
GLU	249	CD	1	1	1[O],
SER	251	OG	4	1	1[P], 3[O],
GLU	252	OE1	15	1	1[N], 6[C], 1[P], 7[O],
GLU	252	CD	16	1	7[O], 6[C], 2[N], 1[P],
GLU	252	OE2	16	1	7[O], 1[P], 2[N], 6[C],
GLU	252	CG	16	1	1[P], 2[N], 6[C], 7[O],
GLU	253	CG	1	1	1[O],
MET	285	SD	12	1	6[C], 1[N], 5[O],
MET	285	CG	6	1	4[C], 2[O],
MET	285	CE	16	1	1[P], 7[C], 1[N], 7[O],
ASP	286	OD2	2	1	2[O],
ASP	286	OD1	1	1	1[O],
HIS	315	NE2	14	1	7[O], 1[N], 5[C], 1[P],
HIS	315	CE1	12	1	4[C], 1[P], 7[O],
HIS	315	CD2	15	1	1[P], 6[C], 1[N], 7[O],
HIS	315	ND1	12	1	7[O], 4[C], 1[P],
HIS	315	CG	13	1	1[P], 5[C], 7[O],
THR	317	CG2	6	1	3[O], 3[C],
THR	317	OG1	1	1	1[O],
ARG	319	CG	2	1	1[C], 1[O],
ARG	319	CZ	15	1	5[O], 1[P], 7[C], 2[N],
ARG	319	CD	5	1	2[O], 3[C],
ARG	319	NE	9	1	5[C], 4[O],
Total = 85


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