Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
Binding Site Number :C4_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 C4_S1
Complex: NAD_A_3(2EP7) / Model_86(2EP7/A) = [9.1]	Download	1539.29	6.61	MTVKVGINGFGRIGRLAFRRIQDVDGIEVVAINDLTDAKMLAHLLKYDTTQGRFNGTVEVHEGSFNVNGKEVKVLANRNPEELPWGELGVDIVLECTGFFTSKSAAEKHLTAGAKRVVISAPGGNDVPTIVYNTNHETLTGKETVISGASCTTNCLAPMAKTLNDKFGVVEGLMTTIHAYTGDQMTLDGPHPKGDFRRARAAAANIVPNSTGAAKAIGLVIPELNGKLDGAAQRVPVPTGSLTELVTVLEKEVTVDEINAAMKEASNESYGYNTDEIVSSDIVGMTYGSLFDATQTKVMTVGDKQLVKTVAWYDNEMSYTAQLVRTLEYFANL
Consensus [pKd Mean = 9.10]	-	1539 (s=0)	6 (s=0)	MTVKVGINGFGRIGRLAFRRIQDVDGIEVVAINDLTDAKMLAHLLKYDTTQGRFNGTVEVHEGSFNVNGKEVKVLANRNPEELPWGELGVDIVLECTGFFTSKSAAEKHLTAGAKRVVISAPGGNDVPTIVYNTNHETLTGKETVISGASCTTNCLAPMAKTLNDKFGVVEGLMTTIHAYTGDQMTLDGPHPKGDFRRARAAAANIVPNSTGAAKAIGLVIPELNGKLDGAAQRVPVPTGSLTELVTVLEKEVTVDEINAAMKEASNESYGYNTDEIVSSDIVGMTYGSLFDATQTKVMTVGDKQLVKTVAWYDNEMSYTAQLVRTLEYFANL

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ILE	7	CG2	1	1	1[C],
ASN	8	ND2	12	1	6[C], 1[O], 5[N],
ASN	8	OD1	12	1	6[C], 1[O], 5[N],
ASN	8	CG	12	1	5[N], 1[O], 6[C],
PHE	10	CG	5	1	2[O], 3[C],
PHE	10	CD2	3	1	1[O], 2[C],
PHE	10	CD1	2	1	1[O], 1[C],
ARG	12	NE	9	1	1[N], 5[O], 1[C], 2[P],
ARG	12	CZ	4	1	1[N], 3[O],
ARG	12	CD	14	1	9[O], 1[N], 2[P], 2[C],
ARG	12	CG	19	1	7[C], 2[P], 1[N], 9[O],
ILE	13	CG2	22	1	12[C], 1[P], 2[N], 7[O],
ILE	13	CD1	23	1	2[N], 8[O], 11[C], 2[P],
ILE	13	CG1	26	1	10[O], 2[N], 2[P], 12[C],
ARG	15	CG	6	1	3[C], 3[O],
ARG	15	CD	2	1	2[O],
ARG	15	CZ	7	1	1[P], 3[C], 3[O],
ARG	15	NE	2	1	2[O],
LEU	16	CG	4	1	2[O], 1[N], 1[C],
LEU	16	CD1	9	1	1[P], 4[C], 3[O], 1[N],
ASN	33	ND2	11	1	6[C], 5[N],
ASN	33	CG	8	1	4[C], 4[N],
ASN	33	OD1	7	1	3[N], 4[C],
ASP	34	OD1	21	1	1[P], 10[C], 6[O], 4[N],
ASP	34	CG	20	1	10[C], 5[N], 5[O],
ASP	34	OD2	20	1	5[O], 5[N], 10[C],
LEU	35	CD2	16	1	8[C], 3[O], 5[N],
LEU	35	CG	17	1	3[O], 5[N], 9[C],
LEU	35	CD1	17	1	3[O], 5[N], 9[C],
THR	36	CG2	4	1	2[C], 2[O],
LEU	41	CD2	6	1	4[C], 2[O],
LEU	41	CD1	1	1	1[O],
LEU	41	CG	1	1	1[O],
LEU	44	CD1	3	1	2[O], 1[C],
LEU	44	CD2	1	1	1[O],
LEU	44	CG	1	1	1[O],
ASN	77	CG	1	1	1[N],
ARG	78	CG	6	1	3[N], 3[C],
ARG	78	NE	1	1	1[N],
ARG	78	CD	4	1	2[C], 2[N],
ASN	79	CG	1	1	1[N],
ASN	79	OD1	1	1	1[N],
PRO	80	CG	4	1	2[C], 2[N],
PRO	80	CD	5	1	2[N], 3[C],
LEU	83	CD1	4	1	2[C], 2[N],
LEU	83	CD2	2	1	1[N], 1[C],
LEU	83	CG	2	1	1[C], 1[N],
GLU	95	OE2	11	1	5[N], 1[O], 5[C],
GLU	95	OE1	16	1	5[N], 3[O], 8[C],
GLU	95	CD	10	1	2[O], 3[N], 5[C],
CYS	96	SG	15	1	1[N], 4[O], 9[C], 1[P],
THR	97	OG1	21	1	13[C], 3[O], 5[N],
THR	97	CG2	21	1	5[N], 4[O], 12[C],
PHE	99	CE2	5	1	2[C], 3[N],
PHE	99	CE1	22	1	5[N], 5[O], 11[C], 1[P],
PHE	99	CD2	8	1	4[C], 3[N], 1[O],
PHE	99	CD1	23	1	5[O], 5[N], 1[P], 12[C],
PHE	99	CZ	14	1	4[O], 3[N], 1[P], 6[C],
PHE	99	CG	15	1	7[C], 3[O], 5[N],
PHE	100	CE1	8	1	3[N], 5[C],
PHE	100	CE2	12	1	6[C], 1[O], 5[N],
PHE	100	CD1	5	1	2[C], 3[N],
PHE	100	CG	9	1	5[C], 4[N],
PHE	100	CZ	10	1	5[N], 5[C],
PHE	100	CD2	10	1	5[C], 5[N],
THR	101	CG2	8	1	3[O], 5[C],
THR	101	OG1	1	1	1[O],
HIS	109	NE2	2	1	1[N], 1[C],
HIS	109	CE1	2	1	1[C], 1[N],
ILE	119	CG2	5	1	2[O], 3[C],
SER	120	OG	20	1	11[C], 1[P], 1[N], 7[O],
PRO	122	CG	6	1	2[O], 1[N], 3[C],
PRO	122	CD	12	1	8[C], 3[O], 1[N],
SER	150	OG	4	1	3[C], 1[N],
CYS	151	SG	12	1	2[N], 2[O], 8[C],
THR	152	OG1	2	1	2[C],
ASN	154	ND2	2	1	2[C],
HIS	178	NE2	9	1	6[C], 1[O], 2[N],
HIS	178	CG	4	1	2[C], 1[O], 1[N],
HIS	178	ND1	6	1	4[C], 1[O], 1[N],
HIS	178	CE1	9	1	1[O], 2[N], 6[C],
HIS	178	CD2	5	1	3[C], 1[N], 1[O],
THR	181	OG1	18	1	2[P], 7[C], 7[O], 2[N],
THR	181	CG2	17	1	2[N], 6[O], 8[C], 1[P],
ASP	183	OD2	2	1	1[C], 1[O],
ASP	183	OD1	6	1	2[O], 1[N], 3[C],
ASP	183	CG	5	1	2[O], 1[N], 2[C],
ARG	234	CZ	3	1	1[C], 1[N], 1[O],
THR	239	OG1	3	1	1[N], 1[O], 1[C],
SER	241	OG	2	1	1[O], 1[C],
TYR	313	CE2	3	1	2[C], 1[O],
TYR	313	CD2	3	1	1[O], 2[C],
ASP	314	CG	1	1	1[O],
ASP	314	OD1	2	1	1[C], 1[O],
ASN	315	CG	7	1	5[C], 1[N], 1[O],
ASN	315	ND2	10	1	6[C], 2[O], 2[N],
ASN	315	OD1	5	1	1[O], 1[N], 3[C],
GLU	316	OE2	12	1	1[P], 4[C], 6[O], 1[N],
GLU	316	OE1	5	1	2[C], 2[O], 1[N],
GLU	316	CG	12	1	4[O], 2[N], 1[P], 5[C],
GLU	316	CD	9	1	1[N], 3[O], 4[C], 1[P],
SER	318	OG	2	1	1[C], 1[O],
TYR	319	CG	11	1	2[N], 2[O], 7[C],
TYR	319	CE1	10	1	2[O], 1[N], 7[C],
TYR	319	CD1	10	1	7[C], 2[O], 1[N],
TYR	319	CZ	14	1	10[C], 3[O], 1[N],
TYR	319	CD2	14	1	3[O], 2[N], 9[C],
TYR	319	CE2	17	1	5[O], 1[N], 11[C],
THR	320	CG2	9	1	1[N], 2[O], 6[C],
LEU	323	CG	2	1	2[C],
LEU	323	CD2	2	1	2[C],
LEU	323	CD1	6	1	1[O], 1[N], 4[C],
Total = 112


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