Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ANP_B_7(2ONJ) / Model_56(2ONJ/B) = [6.1]	Download	637.59	12.93	MTIEPGQRIALVGQSGSGKSTLSKIPSGLYKIDTGKVLFDGVNINQIDKKILSQNLGVVPQDSFLLNRSILDNITLKHEVTSQKIEEVCKAVQIYDEIMAMPMKFNTIISEMGSNISGGQRQRIALARALINNPSIVILDEATSALDTINEERITKYIKSQGCTQIIVAHRLSTIKDADIIVVMKGGKIVESGNHKYLMDLGGEYYSLYTKRK
Complex: ATP_E_5(2FGK) / Model_6(2FGK/A) = [5.6]	Download	896.02	9.53	MTIEPGQRIALVGQSGSGKSTLSKIPSGLYKIDTGKVLFDGVNINQIDKKILSQNLGVVPQDSFLLNRSILDNITLKHEVTSQKIEEVCKAVQIYDEIMAMPMKFNTIISEMGSNISGGQRQRIALARALINNPSIVILDEATSALDTINEERITKYIKSQGCTQIIVAHRLSTIKDADIIVVMKGGKIVESGNHKYLMDLGGEYYSLYTKRK
Complex: ADP_A_2(3NHB) / Model_158(3NHB/A) = [5.0]	Download	485.63	9.00	MTIEPGQRIALVGQSGSGKSTLSKIPSGLYKIDTGKVLFDGVNINQIDKKILSQNLGVVPQDSFLLNRSILDNITLKHEVTSQKIEEVCKAVQIYDEIMAMPMKFNTIISEMGSNISGGQRQRIALARALINNPSIVILDEATSALDTINEERITKYIKSQGCTQIIVAHRLSTIKDADIIVVMKGGKIVESGNHKYLMDLGGEYYSLYTKRK
Complex: 128_A_2(2PMK) / Model_1(2PMK/A) = [5.0]	Download	714.75	10.18	MTIEPGQRIALVGQSGSGKSTLSKIPSGLYKIDTGKVLFDGVNINQIDKKILSQNLGVVPQDSFLLNRSILDNITLKHEVTSQKIEEVCKAVQIYDEIMAMPMKFNTIISEMGSNISGGQRQRIALARALINNPSIVILDEATSALDTINEERITKYIKSQGCTQIIVAHRLSTIKDADIIVVMKGGKIVESGNHKYLMDLGGEYYSLYTKRK
Complex: 12D_A_2(3B5J) / Model_4(3B5J/A) = [4.7]	Download	415.37	8.50	MTIEPGQRIALVGQSGSGKSTLSKIPSGLYKIDTGKVLFDGVNINQIDKKILSQNLGVVPQDSFLLNRSILDNITLKHEVTSQKIEEVCKAVQIYDEIMAMPMKFNTIISEMGSNISGGQRQRIALARALINNPSIVILDEATSALDTINEERITKYIKSQGCTQIIVAHRLSTIKDADIIVVMKGGKIVESGNHKYLMDLGGEYYSLYTKRK
Consensus [pKd Mean = 5.28]	-	629 (s=170)	10 (s=1)	MTIEPGQRIALVGQSGSGKSTLSKIPSGLYKIDTGKVLFDGVNINQIDKKILSQNLGVVPQDSFLLNRSILDNITLKHEVTSQKIEEVCKAVQIYDEIMAMPMKFNTIISEMGSNISGGQRQRIALARALINNPSIVILDEATSALDTINEERITKYIKSQGCTQIIVAHRLSTIKDADIIVVMKGGKIVESGNHKYLMDLGGEYYSLYTKRK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LEU	11	CG	9	8	6[O], 3[P],
LEU	11	CD1	6	8	6[O],
LEU	11	CD2	15	8	12[O], 3[P],
GLN	14	CG	1	8	1[O],
SER	15	OG	94	8	16[P], 2[S], 58[O], 15[C], 3[N],
SER	17	OG	85	8	12[C], 53[O], 1[S], 1[N], 18[P],
LYS	19	CG	93	8	20[P], 2[S], 61[O], 9[C], 1[N],
LYS	19	CE	78	8	1[S], 2[C], 55[O], 1[N], 19[P],
LYS	19	NZ	89	8	19[P], 61[O], 7[C], 1[S], 1[N],
LYS	19	CD	74	8	1[S], 1[C], 51[O], 1[N], 20[P],
SER	20	OG	137	8	2[S], 34[C], 71[O], 10[N], 20[P],
THR	21	CG2	129	8	7[P], 42[O], 60[C], 20[N],
THR	21	OG1	206	8	14[P], 73[O], 81[C], 1[S], 37[N],
SER	23	OG	16	8	15[O], 1[P],
LYS	24	NZ	166	8	11[P], 40[N], 73[C], 42[O],
LYS	24	CD	100	8	6[P], 30[O], 37[C], 27[N],
LYS	24	CE	134	8	9[P], 33[N], 52[C], 40[O],
LYS	24	CG	52	8	17[C], 16[O], 14[N], 5[P],
LEU	29	CD2	2	8	1[C], 1[N],
TYR	30	CD2	35	8	16[C], 19[N],
TYR	30	CG	27	8	13[C], 14[N],
TYR	30	CE1	63	8	1[O], 32[C], 30[N],
TYR	30	CE2	58	8	27[N], 31[C],
TYR	30	CZ	72	8	34[N], 38[C],
TYR	30	CD1	43	8	20[N], 23[C],
GLN	61	CD	41	8	10[P], 1[C], 27[O], 2[S], 1[N],
GLN	61	CG	27	8	7[P], 1[S], 1[C], 17[O], 1[N],
GLN	61	OE1	51	8	13[P], 1[N], 2[S], 34[O], 1[C],
GLN	61	NE2	39	8	9[P], 26[O], 1[C], 2[S], 1[N],
ASP	140	OD2	41	8	10[P], 1[N], 27[O], 1[C], 2[S],
ASP	140	OD1	43	8	1[N], 2[S], 27[O], 1[C], 12[P],
ASP	140	CG	35	8	2[S], 1[C], 23[O], 1[N], 8[P],
GLU	141	OE1	41	8	27[O], 2[S], 1[N], 11[P],
GLU	141	CD	42	8	1[N], 2[S], 30[O], 9[P],
GLU	141	CG	31	8	7[P], 1[N], 21[O], 2[S],
GLU	141	OE2	46	8	10[P], 2[S], 33[O], 1[N],
SER	144	OG	6	8	5[O], 1[P],
VAL	168	CG2	41	8	1[N], 1[S], 28[O], 11[P],
VAL	168	CG1	62	8	1[N], 44[O], 1[C], 2[S], 14[P],
HIS	170	NE2	50	8	1[N], 33[O], 4[C], 2[S], 10[P],
HIS	170	CG	30	8	7[P], 1[S], 21[O], 1[N],
HIS	170	CD2	34	8	8[P], 1[N], 1[S], 24[O],
HIS	170	ND1	33	8	8[P], 1[S], 23[O], 1[N],
HIS	170	CE1	47	8	10[P], 2[C], 32[O], 2[S], 1[N],
MET	184	SD	41	8	2[C], 30[O], 9[P],
MET	184	CE	31	8	23[O], 2[C], 6[P],
MET	184	CG	12	8	1[P], 11[O],
Total = 47


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