Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C5_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 C5_S1
Complex: NAD_G_7(1EZ4) / Model_45(1EZ4/C) = [8.7]	Download	1509.91	22.79	MTSTKQHKKVILVGDGAVGSSYAFALVNQGIAQELGIIEIPQLHEKAVGDALDLSHALAFTSPKKIYAAQYSDCADADLVVITAGAPQKPGETRLDLVGKNLAINKSIVTQVVESGFKGIFLVAANPVDVLTYSTWKFSGFPKERVIGSGTSLDSARFRQALAEKLDVDARSVHAYIMGEHGDSEFAVWSHANIAGVNLEEFLKDTQNVQEAELIELFEGVRDAAYTIINKKGATYYGIAVALARITKAILDDENAVLPLSVFQEGQYGVENVFIGQPAVVGAHGIVRPVNIPLNDAETQKMQASAKELQAIIDEAWKNPEFQEASKN
Consensus [pKd Mean = 8.70]	-	1509 (s=0)	22 (s=0)	MTSTKQHKKVILVGDGAVGSSYAFALVNQGIAQELGIIEIPQLHEKAVGDALDLSHALAFTSPKKIYAAQYSDCADADLVVITAGAPQKPGETRLDLVGKNLAINKSIVTQVVESGFKGIFLVAANPVDVLTYSTWKFSGFPKERVIGSGTSLDSARFRQALAEKLDVDARSVHAYIMGEHGDSEFAVWSHANIAGVNLEEFLKDTQNVQEAELIELFEGVRDAAYTIINKKGATYYGIAVALARITKAILDDENAVLPLSVFQEGQYGVENVFIGQPAVVGAHGIVRPVNIPLNDAETQKMQASAKELQAIIDEAWKNPEFQEASKN

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
VAL	13	CG2	5	1	2[N], 3[C],
VAL	13	CG1	13	1	1[O], 7[C], 5[N],
ASP	15	CG	3	1	1[O], 2[C],
ASP	15	OD2	1	1	1[O],
ASP	15	OD1	2	1	2[O],
VAL	18	CG1	25	1	9[O], 2[N], 2[P], 12[C],
VAL	18	CG2	27	1	2[N], 12[C], 2[P], 11[O],
SER	21	OG	2	1	2[O],
ILE	38	CG2	7	1	4[C], 3[N],
ILE	38	CG1	1	1	1[C],
ILE	38	CD1	1	1	1[C],
GLU	39	OE2	6	1	3[C], 1[N], 2[O],
GLU	39	CG	14	1	3[O], 8[C], 3[N],
GLU	39	CD	11	1	6[C], 2[N], 3[O],
GLU	39	OE1	17	1	5[O], 3[N], 9[C],
ILE	40	CG1	17	1	3[O], 9[C], 5[N],
ILE	40	CG2	13	1	1[O], 5[N], 7[C],
ILE	40	CD1	17	1	9[C], 5[N], 3[O],
LEU	43	CD2	2	1	1[O], 1[C],
LEU	43	CG	8	1	5[C], 1[N], 2[O],
LEU	43	CD1	6	1	2[O], 1[N], 3[C],
LYS	46	NZ	16	1	2[P], 5[C], 9[O],
LYS	46	CE	11	1	5[O], 5[C], 1[P],
LYS	46	CD	8	1	4[C], 4[O],
LYS	46	CG	3	1	1[C], 2[O],
TYR	71	CE2	7	1	4[C], 3[N],
TYR	71	CD2	4	1	2[C], 2[N],
TYR	71	CG	3	1	1[C], 2[N],
TYR	71	CE1	7	1	4[C], 3[N],
TYR	71	CD1	5	1	3[N], 2[C],
TYR	71	CZ	8	1	4[N], 4[C],
ILE	82	CG2	7	1	2[N], 4[C], 1[O],
THR	83	OG1	28	1	3[N], 13[C], 2[P], 10[O],
THR	83	CG2	18	1	6[O], 1[P], 10[C], 1[N],
LEU	97	CD2	3	1	1[C], 2[O],
LEU	97	CG	1	1	1[O],
ASN	101	CG	5	1	3[C], 2[O],
ASN	101	ND2	7	1	4[C], 3[O],
ASN	101	OD1	11	1	4[O], 5[C], 2[N],
ILE	104	CG2	17	1	2[O], 10[C], 5[N],
ILE	104	CD1	17	1	3[O], 9[C], 5[N],
ILE	104	CG1	13	1	5[N], 7[C], 1[O],
SER	107	OG	10	1	5[C], 5[N],
ILE	108	CG2	7	1	3[N], 4[C],
ILE	108	CD1	13	1	5[N], 7[C], 1[O],
ILE	108	CG1	12	1	5[N], 6[C], 1[O],
VAL	123	CG1	1	1	1[N],
ASN	126	CG	18	1	5[O], 2[N], 11[C],
ASN	126	OD1	20	1	1[P], 11[C], 2[N], 6[O],
ASN	126	ND2	16	1	4[O], 10[C], 2[N],
PRO	127	CD	3	1	2[O], 1[C],
PRO	127	CG	1	1	1[O],
VAL	128	CG2	9	1	2[O], 2[N], 5[C],
VAL	128	CG1	9	1	1[O], 2[N], 6[C],
ASP	129	OD1	1	1	1[N],
LEU	131	CD1	7	1	4[C], 3[O],
LEU	131	CG	1	1	1[O],
THR	132	OG1	1	1	1[N],
SER	149	OG	11	1	2[O], 2[N], 7[C],
SER	152	OG	4	1	1[N], 2[C], 1[O],
LEU	153	CG	9	1	1[O], 2[N], 6[C],
LEU	153	CD1	5	1	1[O], 4[C],
LEU	153	CD2	10	1	2[N], 7[C], 1[O],
ASP	154	CG	3	1	2[C], 1[O],
ASP	154	OD2	3	1	1[O], 2[C],
ASP	154	OD1	3	1	1[O], 2[C],
ARG	157	CZ	4	1	3[C], 1[O],
ARG	157	NE	3	1	2[C], 1[O],
HIS	181	CE1	9	1	6[C], 2[N], 1[O],
HIS	181	ND1	7	1	1[O], 5[C], 1[N],
HIS	181	CG	7	1	1[O], 5[C], 1[N],
HIS	181	NE2	11	1	2[N], 7[C], 2[O],
HIS	181	CD2	11	1	2[O], 2[N], 7[C],
ILE	229	CD1	1	1	1[C],
THR	235	CG2	7	1	2[O], 4[C], 1[N],
THR	235	OG1	3	1	3[C],
TYR	236	CD1	2	1	2[O],
TYR	236	CD2	3	1	1[P], 2[O],
TYR	236	CG	3	1	2[O], 1[P],
TYR	236	CE2	1	1	1[O],
ILE	239	CG1	16	1	10[C], 2[N], 4[O],
ILE	239	CG2	19	1	6[O], 2[N], 1[P], 10[C],
ILE	239	CD1	11	1	2[N], 7[C], 2[O],
LEU	243	CG	4	1	3[C], 1[N],
LEU	243	CD1	7	1	1[O], 4[C], 2[N],
LEU	243	CD2	11	1	2[O], 7[C], 2[N],
Total = 86


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