Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
Binding Site Number :C8_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 C8_S1
Complex: B4P_A_2(2E1Z) / Model_18(2E1Z/A) = [9.7]	Download	1900.03	5.86	MSKTIAINAGSSSLKWQLYQMPEETVVAKGIVERIGLQDSIFTIKYGDNQKFEQIMDIENHEVAVKMLLDQLIELQILSSYDEITGVGHRVVHGGETYGDSVVIDEKVMDRIAELAEFAPLHNPANLMGIKAFKKILPDILSVAVFDTSFHSTMPKQNYLYSLPVSYYEDFKVRKYGFHGTSHRYVSERAAKLLNKPIEELKIITCHLGNGVSITAVDGGKSMDTSMGFTPLAGVTMGTRSGDIDPAVLPYLMEKLEIDIDEMINVLNKKSGLLGLTGLSSDMRDLEKNYEKEHIRLAYDIFVDRIRKYIGGYVTTMNGVDAIVFTAGIGENDGHVRSEIIKGMSWFGCEIDPALNELRGEEVDISTKESKVRVLVIPTDEELMIARDVERLRG
Complex: AQP_A_4(4FWN) / Model_34(4FWN/A) = [7.6]	Download	1820.53	-5.06	MSKTIAINAGSSSLKWQLYQMPEETVVAKGIVERIGLQDSIFTIKYGDNQKFEQIMDIENHEVAVKMLLDQLIELQILSSYDEITGVGHRVVHGGETYGDSVVIDEKVMDRIAELAEFAPLHNPANLMGIKAFKKILPDILSVAVFDTSFHSTMPKQNYLYSLPVSYYEDFKVRKYGFHGTSHRYVSERAAKLLNKPIEELKIITCHLGNGVSITAVDGGKSMDTSMGFTPLAGVTMGTRSGDIDPAVLPYLMEKLEIDIDEMINVLNKKSGLLGLTGLSSDMRDLEKNYEKEHIRLAYDIFVDRIRKYIGGYVTTMNGVDAIVFTAGIGENDGHVRSEIIKGMSWFGCEIDPALNELRGEEVDISTKESKVRVLVIPTDEELMIARDVERLRG
Complex: ADP_F_6(1G99) / Model_46(1G99/B) = [6.5]	Download	1249.85	-18.50	MSKTIAINAGSSSLKWQLYQMPEETVVAKGIVERIGLQDSIFTIKYGDNQKFEQIMDIENHEVAVKMLLDQLIELQILSSYDEITGVGHRVVHGGETYGDSVVIDEKVMDRIAELAEFAPLHNPANLMGIKAFKKILPDILSVAVFDTSFHSTMPKQNYLYSLPVSYYEDFKVRKYGFHGTSHRYVSERAAKLLNKPIEELKIITCHLGNGVSITAVDGGKSMDTSMGFTPLAGVTMGTRSGDIDPAVLPYLMEKLEIDIDEMINVLNKKSGLLGLTGLSSDMRDLEKNYEKEHIRLAYDIFVDRIRKYIGGYVTTMNGVDAIVFTAGIGENDGHVRSEIIKGMSWFGCEIDPALNELRGEEVDISTKESKVRVLVIPTDEELMIARDVERLRG
Complex: GTP_A_4(4FWQ) / Model_31(4FWQ/A) = [6.4]	Download	1292.04	-7.31	MSKTIAINAGSSSLKWQLYQMPEETVVAKGIVERIGLQDSIFTIKYGDNQKFEQIMDIENHEVAVKMLLDQLIELQILSSYDEITGVGHRVVHGGETYGDSVVIDEKVMDRIAELAEFAPLHNPANLMGIKAFKKILPDILSVAVFDTSFHSTMPKQNYLYSLPVSYYEDFKVRKYGFHGTSHRYVSERAAKLLNKPIEELKIITCHLGNGVSITAVDGGKSMDTSMGFTPLAGVTMGTRSGDIDPAVLPYLMEKLEIDIDEMINVLNKKSGLLGLTGLSSDMRDLEKNYEKEHIRLAYDIFVDRIRKYIGGYVTTMNGVDAIVFTAGIGENDGHVRSEIIKGMSWFGCEIDPALNELRGEEVDISTKESKVRVLVIPTDEELMIARDVERLRG
Complex: ANP_A_2(4XH4) / Model_43(4XH4/A) = [6.4]	Download	1522.17	-10.39	MSKTIAINAGSSSLKWQLYQMPEETVVAKGIVERIGLQDSIFTIKYGDNQKFEQIMDIENHEVAVKMLLDQLIELQILSSYDEITGVGHRVVHGGETYGDSVVIDEKVMDRIAELAEFAPLHNPANLMGIKAFKKILPDILSVAVFDTSFHSTMPKQNYLYSLPVSYYEDFKVRKYGFHGTSHRYVSERAAKLLNKPIEELKIITCHLGNGVSITAVDGGKSMDTSMGFTPLAGVTMGTRSGDIDPAVLPYLMEKLEIDIDEMINVLNKKSGLLGLTGLSSDMRDLEKNYEKEHIRLAYDIFVDRIRKYIGGYVTTMNGVDAIVFTAGIGENDGHVRSEIIKGMSWFGCEIDPALNELRGEEVDISTKESKVRVLVIPTDEELMIARDVERLRG
Consensus [pKd Mean = 7.32]	-	1556 (s=265)	-7 (s=7)	MSKTIAINAGSSSLKWQLYQMPEETVVAKGIVERIGLQDSIFTIKYGDNQKFEQIMDIENHEVAVKMLLDQLIELQILSSYDEITGVGHRVVHGGETYGDSVVIDEKVMDRIAELAEFAPLHNPANLMGIKAFKKILPDILSVAVFDTSFHSTMPKQNYLYSLPVSYYEDFKVRKYGFHGTSHRYVSERAAKLLNKPIEELKIITCHLGNGVSITAVDGGKSMDTSMGFTPLAGVTMGTRSGDIDPAVLPYLMEKLEIDIDEMINVLNKKSGLLGLTGLSSDMRDLEKNYEKEHIRLAYDIFVDRIRKYIGGYVTTMNGVDAIVFTAGIGENDGHVRSEIIKGMSWFGCEIDPALNELRGEEVDISTKESKVRVLVIPTDEELMIARDVERLRG

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ASN	8	CG	19	13	1[N], 5[C], 11[O], 2[P],
ASN	8	OD1	15	13	5[C], 1[N], 1[P], 8[O],
ASN	8	ND2	27	13	4[P], 17[O], 5[C], 1[N],
SER	11	OG	13	13	2[N], 8[C], 3[O],
SER	12	OG	2	13	1[O], 1[C],
SER	13	OG	6	13	4[O], 1[P], 1[C],
LYS	15	CD	36	13	2[C], 7[P], 27[O],
LYS	15	NZ	104	13	7[C], 1[N], 27[P], 69[O],
LYS	15	CG	8	13	6[O], 2[P],
LYS	15	CE	51	13	37[O], 9[P], 5[C],
ILE	31	CD1	3	13	3[O],
ARG	90	NE	32	13	19[O], 6[P], 5[C], 2[N],
ARG	90	CD	15	13	5[C], 10[O],
ARG	90	CG	10	13	5[C], 5[O],
ARG	90	CZ	48	13	5[C], 1[N], 33[O], 9[P],
VAL	92	CG1	18	13	3[O], 10[C], 5[N],
VAL	92	CG2	20	13	5[N], 10[C], 5[O],
HIS	93	CG	4	13	2[N], 2[C],
HIS	93	CD2	6	13	3[C], 3[N],
HIS	93	ND1	2	13	1[C], 1[N],
HIS	93	NE2	3	13	2[N], 1[C],
HIS	93	CE1	2	13	1[C], 1[N],
PRO	120	CD	4	13	2[N], 2[C],
PRO	120	CG	2	13	2[N],
LEU	121	CD2	11	13	2[O], 3[N], 6[C],
LEU	121	CG	9	13	2[O], 3[N], 4[C],
LEU	121	CD1	4	13	2[C], 2[O],
HIS	122	NE2	25	13	8[O], 12[C], 5[N],
HIS	122	CE1	20	13	11[C], 5[N], 4[O],
HIS	122	CD2	25	13	8[O], 5[N], 12[C],
HIS	122	CG	21	13	11[C], 5[N], 5[O],
HIS	122	ND1	19	13	4[O], 10[C], 5[N],
ASN	123	CG	3	13	2[N], 1[C],
ASN	123	OD1	4	13	2[N], 2[C],
ASN	126	OD1	7	13	1[N], 4[C], 2[O],
ASN	126	ND2	6	13	2[O], 3[C], 1[N],
ASN	126	CG	5	13	2[O], 2[C], 1[N],
ASP	147	OD1	12	13	1[N], 5[C], 6[O],
ASP	147	CG	17	13	7[C], 2[N], 1[P], 7[O],
ASP	147	OD2	31	13	2[N], 8[C], 18[O], 3[P],
THR	148	CG2	2	13	1[C], 1[N],
PHE	178	CD1	11	13	5[C], 5[N], 1[O],
PHE	178	CE1	10	13	4[C], 5[N], 1[O],
PHE	178	CD2	14	13	1[O], 5[N], 8[C],
PHE	178	CG	15	13	2[O], 5[N], 8[C],
PHE	178	CE2	12	13	1[O], 5[N], 6[C],
PHE	178	CZ	11	13	5[N], 5[C], 1[O],
HIS	179	ND1	49	13	2[C], 1[N], 36[O], 10[P],
HIS	179	CE1	71	13	52[O], 15[P], 1[N], 3[C],
HIS	179	CG	49	13	10[P], 36[O], 2[C], 1[N],
HIS	179	NE2	100	13	7[C], 2[N], 21[P], 70[O],
HIS	179	CD2	86	13	6[C], 2[N], 19[P], 59[O],
SER	182	OG	15	13	2[P], 13[O],
HIS	207	NE2	134	13	1[N], 5[C], 98[O], 30[P],
HIS	207	CE1	122	13	1[N], 2[C], 89[O], 30[P],
HIS	207	CG	64	13	1[N], 48[O], 15[P],
HIS	207	ND1	72	13	2[C], 1[N], 50[O], 19[P],
HIS	207	CD2	110	13	77[O], 30[P], 2[C], 1[N],
ASN	210	OD1	215	13	62[C], 8[N], 29[P], 116[O],
ASN	210	CG	224	13	57[C], 8[N], 129[O], 30[P],
ASN	210	ND2	206	13	54[C], 7[N], 115[O], 30[P],
VAL	212	CG2	81	13	13[C], 1[N], 58[O], 9[P],
VAL	212	CG1	4	13	4[O],
SER	213	OG	5	13	5[O],
MET	227	CG	1	13	1[O],
MET	227	SD	19	13	9[O], 2[P], 5[C], 3[N],
MET	227	CE	36	13	22[O], 7[P], 2[N], 5[C],
THR	230	CG2	4	13	2[C], 2[N],
THR	230	OG1	5	13	2[N], 3[C],
PRO	231	CD	14	13	7[C], 5[N], 2[O],
PRO	231	CG	24	13	2[P], 7[O], 5[N], 10[C],
LEU	232	CG	3	13	1[O], 1[N], 1[C],
LEU	232	CD2	2	13	1[O], 1[N],
LEU	232	CD1	1	13	1[N],
MET	237	CG	7	13	7[O],
MET	237	CE	2	13	2[O],
MET	237	SD	15	13	12[O], 3[P],
THR	239	OG1	2	13	1[C], 1[O],
ARG	240	CZ	47	13	6[N], 11[C], 25[O], 5[P],
ARG	240	CD	12	13	2[N], 4[C], 6[O],
ARG	240	NE	24	13	9[O], 3[P], 5[N], 7[C],
ARG	240	CG	5	13	2[N], 1[C], 2[O],
ASN	268	CG	9	13	2[O], 5[C], 2[N],
ASN	268	ND2	10	13	2[O], 3[N], 5[C],
ASN	268	OD1	10	13	5[C], 3[N], 2[O],
LYS	269	CG	4	13	2[O], 2[C],
LYS	269	CE	5	13	2[C], 1[N], 2[O],
LYS	269	CD	4	13	2[O], 2[C],
LYS	269	NZ	7	13	3[O], 3[C], 1[N],
LEU	273	CD1	53	13	32[C], 21[O],
LEU	273	CD2	7	13	1[C], 6[O],
LEU	273	CG	11	13	11[O],
SER	280	OG	22	13	20[O], 2[C],
SER	281	OG	50	13	22[O], 28[C],
ASP	282	OD2	204	13	117[C], 38[N], 49[O],
ASP	282	CG	201	13	41[O], 45[N], 115[C],
ASP	282	OD1	209	13	117[C], 52[N], 40[O],
MET	283	CE	130	13	29[N], 65[C], 36[O],
MET	283	CG	200	13	41[O], 109[C], 50[N],
MET	283	SD	134	13	35[O], 64[C], 35[N],
ARG	284	CG	202	13	41[O], 56[N], 105[C],
ARG	284	CD	205	13	109[C], 56[N], 40[O],
ARG	284	NE	218	13	46[O], 116[C], 56[N],
ARG	284	CZ	224	13	117[C], 56[N], 51[O],
ASP	285	OD1	12	13	11[O], 1[C],
ASP	285	CG	14	13	2[C], 12[O],
ASP	285	OD2	12	13	12[O],
LEU	286	CG	11	13	11[O],
LEU	286	CD1	15	13	15[O],
GLU	287	CG	71	13	32[C], 29[N], 10[O],
GLU	287	CD	100	13	40[N], 46[C], 14[O],
GLU	287	OE1	84	13	6[O], 35[N], 43[C],
GLU	287	OE2	132	13	19[O], 65[C], 48[N],
TYR	299	CD1	4	13	1[C], 3[N],
TYR	299	CE1	10	13	4[C], 6[N],
TYR	299	CZ	2	13	1[N], 1[C],
PHE	302	CZ	9	13	7[O], 2[C],
PHE	302	CE2	5	13	5[O],
PHE	302	CE1	2	13	2[O],
THR	326	OG1	8	13	8[O],
THR	326	CG2	3	13	3[O],
ILE	329	CG2	210	13	50[O], 46[N], 114[C],
ILE	329	CD1	243	13	14[P], 86[O], 106[C], 37[N],
ILE	329	CG1	269	13	88[O], 13[P], 119[C], 49[N],
GLU	331	OE2	45	13	13[P], 32[O],
GLU	331	CG	10	13	10[O],
GLU	331	CD	34	13	1[C], 23[O], 10[P],
GLU	331	OE1	35	13	26[O], 7[P], 1[C], 1[N],
ASN	332	CG	175	13	90[C], 56[N], 29[O],
ASN	332	OD1	138	13	56[N], 68[C], 14[O],
ASN	332	ND2	240	13	114[C], 56[N], 58[O], 12[P],
ASP	333	OD2	145	13	27[O], 69[C], 49[N],
ASP	333	CG	116	13	9[O], 51[N], 56[C],
ASP	333	OD1	73	13	32[N], 39[C], 2[O],
HIS	335	CD2	8	13	5[N], 3[C],
HIS	335	CE1	4	13	2[C], 2[N],
HIS	335	ND1	7	13	2[C], 5[N],
HIS	335	CG	10	13	6[N], 4[C],
HIS	335	NE2	2	13	2[N],
VAL	336	CG2	40	13	21[N], 17[C], 2[O],
VAL	336	CG1	6	13	3[N], 3[C],
ARG	359	CD	6	13	3[C], 3[N],
ARG	359	NE	9	13	7[N], 2[C],
ARG	359	CG	7	13	2[C], 5[N],
ARG	359	CZ	10	13	5[N], 5[C],
THR	379	CG2	57	13	19[P], 37[O], 1[N],
THR	379	OG1	6	13	6[O],
GLU	381	OE1	85	13	1[N], 3[C], 22[P], 59[O],
GLU	381	CG	16	13	12[O], 3[P], 1[C],
GLU	381	OE2	59	13	42[O], 13[P], 4[C],
GLU	381	CD	57	13	1[N], 4[C], 12[P], 40[O],
GLU	382	OE2	6	13	5[O], 1[P],
GLU	382	OE1	2	13	2[O],
GLU	382	CD	2	13	2[O],
Total = 154


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