Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
Binding Site Number :C2_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 C2_S1
Complex: FDA_A_2(3SF6) / Model_12(3SF6/A) = [9.6]	Download	2222.14	23.58	MNHMVTTKKAKVQFNWQDPFLIEQQLSPDERMIHDAAHAYCQERLQPRVLEQFRHETTDPSIFREMGELGLLGPTIPEQYGGAGLNYVSYGLVAREIEYVDSGYRSMASVQSSLVMVPIHEFGTEEQKQKYLPKLATGEYIGCFGLTEPDHGSDPGSMITRAKKVEGGYRLTGAKMWITNSPIADVFVVWAKEVSAEGNVGDICGFILEKGWEGLSAPAIHGKVGLRASITGEIVMDNVFVPEENAFPEIRGLKGPFTCLNSARYGIAWGAMGAAEFCWHTAHQYTMDRKQFGRPLAANQLIQKKLADMQTEIALGLQAALRFGRMKDEGIASVEGTSLIKRNNCGKALDIARMARDMMGGNGISDEFGVARHLVNLEVVNTYEGTHDVHALILGRAQTGIAAFSN
Complex: FAD_A_2(2R0N) / Model_8(2R0N/A) = [8.6]	Download	952.67	22.59	MNHMVTTKKAKVQFNWQDPFLIEQQLSPDERMIHDAAHAYCQERLQPRVLEQFRHETTDPSIFREMGELGLLGPTIPEQYGGAGLNYVSYGLVAREIEYVDSGYRSMASVQSSLVMVPIHEFGTEEQKQKYLPKLATGEYIGCFGLTEPDHGSDPGSMITRAKKVEGGYRLTGAKMWITNSPIADVFVVWAKEVSAEGNVGDICGFILEKGWEGLSAPAIHGKVGLRASITGEIVMDNVFVPEENAFPEIRGLKGPFTCLNSARYGIAWGAMGAAEFCWHTAHQYTMDRKQFGRPLAANQLIQKKLADMQTEIALGLQAALRFGRMKDEGIASVEGTSLIKRNNCGKALDIARMARDMMGGNGISDEFGVARHLVNLEVVNTYEGTHDVHALILGRAQTGIAAFSN
Complex: FAD_E_5(1SIQ) / Model_102(1SIQ/A) = [8.2]	Download	1035.55	22.08	MNHMVTTKKAKVQFNWQDPFLIEQQLSPDERMIHDAAHAYCQERLQPRVLEQFRHETTDPSIFREMGELGLLGPTIPEQYGGAGLNYVSYGLVAREIEYVDSGYRSMASVQSSLVMVPIHEFGTEEQKQKYLPKLATGEYIGCFGLTEPDHGSDPGSMITRAKKVEGGYRLTGAKMWITNSPIADVFVVWAKEVSAEGNVGDICGFILEKGWEGLSAPAIHGKVGLRASITGEIVMDNVFVPEENAFPEIRGLKGPFTCLNSARYGIAWGAMGAAEFCWHTAHQYTMDRKQFGRPLAANQLIQKKLADMQTEIALGLQAALRFGRMKDEGIASVEGTSLIKRNNCGKALDIARMARDMMGGNGISDEFGVARHLVNLEVVNTYEGTHDVHALILGRAQTGIAAFSN
Complex: NBC_I_9(1SIR) / Model_7(1SIR/A) = [6.6]	Download	2326.17	21.16	MNHMVTTKKAKVQFNWQDPFLIEQQLSPDERMIHDAAHAYCQERLQPRVLEQFRHETTDPSIFREMGELGLLGPTIPEQYGGAGLNYVSYGLVAREIEYVDSGYRSMASVQSSLVMVPIHEFGTEEQKQKYLPKLATGEYIGCFGLTEPDHGSDPGSMITRAKKVEGGYRLTGAKMWITNSPIADVFVVWAKEVSAEGNVGDICGFILEKGWEGLSAPAIHGKVGLRASITGEIVMDNVFVPEENAFPEIRGLKGPFTCLNSARYGIAWGAMGAAEFCWHTAHQYTMDRKQFGRPLAANQLIQKKLADMQTEIALGLQAALRFGRMKDEGIASVEGTSLIKRNNCGKALDIARMARDMMGGNGISDEFGVARHLVNLEVVNTYEGTHDVHALILGRAQTGIAAFSN
Complex: TGC_A_3(2R0N) / Model_8(2R0N/A) = [6.2]	Download	2342.29	19.47	MNHMVTTKKAKVQFNWQDPFLIEQQLSPDERMIHDAAHAYCQERLQPRVLEQFRHETTDPSIFREMGELGLLGPTIPEQYGGAGLNYVSYGLVAREIEYVDSGYRSMASVQSSLVMVPIHEFGTEEQKQKYLPKLATGEYIGCFGLTEPDHGSDPGSMITRAKKVEGGYRLTGAKMWITNSPIADVFVVWAKEVSAEGNVGDICGFILEKGWEGLSAPAIHGKVGLRASITGEIVMDNVFVPEENAFPEIRGLKGPFTCLNSARYGIAWGAMGAAEFCWHTAHQYTMDRKQFGRPLAANQLIQKKLADMQTEIALGLQAALRFGRMKDEGIASVEGTSLIKRNNCGKALDIARMARDMMGGNGISDEFGVARHLVNLEVVNTYEGTHDVHALILGRAQTGIAAFSN
Consensus [pKd Mean = 7.84]	-	1775 (s=640)	21 (s=1)	MNHMVTTKKAKVQFNWQDPFLIEQQLSPDERMIHDAAHAYCQERLQPRVLEQFRHETTDPSIFREMGELGLLGPTIPEQYGGAGLNYVSYGLVAREIEYVDSGYRSMASVQSSLVMVPIHEFGTEEQKQKYLPKLATGEYIGCFGLTEPDHGSDPGSMITRAKKVEGGYRLTGAKMWITNSPIADVFVVWAKEVSAEGNVGDICGFILEKGWEGLSAPAIHGKVGLRASITGEIVMDNVFVPEENAFPEIRGLKGPFTCLNSARYGIAWGAMGAAEFCWHTAHQYTMDRKQFGRPLAANQLIQKKLADMQTEIALGLQAALRFGRMKDEGIASVEGTSLIKRNNCGKALDIARMARDMMGGNGISDEFGVARHLVNLEVVNTYEGTHDVHALILGRAQTGIAAFSN

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
GLU	98	CD	1	5	1[O],
GLU	98	OE2	2	5	2[O],
GLU	98	OE1	1	5	1[O],
ARG	105	NE	8	5	1[N], 4[O], 3[C],
ARG	105	CG	4	5	1[C], 3[O],
ARG	105	CZ	10	5	1[N], 1[S], 4[C], 4[O],
ARG	105	CD	6	5	1[N], 1[C], 4[O],
SER	106	OG	29	5	4[O], 20[C], 1[S], 4[N],
MET	107	CG	3	5	2[O], 1[C],
SER	109	OG	9	5	4[O], 4[C], 1[N],
VAL	110	CG2	49	5	2[S], 27[C], 10[O], 10[N],
VAL	110	CG1	29	5	1[S], 14[C], 7[O], 7[N],
SER	113	OG	1	5	1[O],
LEU	114	CD2	36	5	4[N], 3[S], 11[O], 18[C],
LEU	114	CD1	53	5	12[N], 25[C], 13[O], 3[S],
LEU	114	CG	38	5	3[S], 19[C], 12[O], 4[N],
VAL	115	CG2	1	5	1[O],
PHE	122	CE1	2	5	1[N], 1[C],
PHE	122	CE2	3	5	2[N], 1[C],
PHE	122	CZ	4	5	2[C], 2[N],
CYS	143	SG	9	5	3[O], 3[C], 3[N],
PHE	144	CZ	33	5	7[N], 2[S], 16[C], 8[O],
PHE	144	CD2	29	5	2[S], 6[O], 14[C], 7[N],
PHE	144	CD1	47	5	11[O], 22[C], 3[S], 11[N],
PHE	144	CE2	26	5	6[O], 14[C], 2[S], 4[N],
PHE	144	CE1	40	5	7[N], 3[S], 10[O], 20[C],
PHE	144	CG	39	5	6[N], 3[S], 22[C], 8[O],
LEU	146	CG	46	5	13[O], 23[C], 2[S], 8[N],
LEU	146	CD1	25	5	2[S], 5[O], 10[C], 8[N],
LEU	146	CD2	55	5	10[N], 2[S], 29[C], 14[O],
THR	147	CG2	97	5	2[S], 29[O], 47[C], 14[N], 5[P],
THR	147	OG1	105	5	30[O], 55[C], 3[S], 14[N], 3[P],
GLU	148	CG	2	5	2[O],
ASP	150	OD1	1	5	1[O],
HIS	151	CE1	5	5	4[C], 1[N],
HIS	151	CD2	7	5	1[N], 4[C], 2[O],
HIS	151	NE2	10	5	7[C], 1[O], 2[N],
HIS	151	CG	1	5	1[O],
HIS	151	ND1	1	5	1[C],
SER	153	OG	121	5	42[O], 54[C], 19[N], 6[P],
ASP	154	CG	22	5	2[P], 6[N], 8[C], 6[O],
ASP	154	OD1	26	5	9[O], 13[C], 2[P], 2[N],
ASP	154	OD2	11	5	4[O], 5[C], 1[N], 1[P],
PRO	155	CD	48	5	19[O], 23[C], 2[P], 4[N],
PRO	155	CG	47	5	2[S], 16[O], 24[C], 4[N], 1[P],
LYS	175	CG	9	5	3[N], 3[O], 3[C],
LYS	175	NZ	3	5	3[O],
LYS	175	CD	10	5	4[N], 3[C], 3[O],
LYS	175	CE	3	5	3[O],
MET	176	CG	1	5	1[C],
TRP	177	NE1	61	5	15[O], 39[C], 4[N], 3[P],
TRP	177	CZ3	36	5	4[O], 27[C], 5[N],
TRP	177	CE3	53	5	9[N], 39[C], 5[O],
TRP	177	CG	83	5	18[O], 51[C], 11[N], 3[P],
TRP	177	CD1	80	5	20[O], 47[C], 10[N], 3[P],
TRP	177	CZ2	34	5	1[N], 1[P], 25[C], 7[O],
TRP	177	CE2	52	5	37[C], 10[O], 2[P], 3[N],
TRP	177	CD2	59	5	40[C], 8[O], 2[P], 9[N],
ILE	178	CG1	42	5	6[O], 24[C], 12[N],
ILE	178	CG2	42	5	12[N], 6[O], 24[C],
ILE	178	CD1	61	5	2[S], 10[O], 37[C], 12[N],
THR	179	CG2	47	5	1[S], 7[O], 31[C], 8[N],
THR	179	OG1	75	5	13[N], 2[S], 11[O], 49[C],
ASN	180	ND2	10	5	1[N], 3[C], 6[O],
ASN	180	CG	4	5	4[O],
ASN	180	OD1	3	5	3[O],
SER	181	OG	2	5	2[O],
TRP	190	CG	3	5	3[O],
TRP	190	CD1	10	5	3[N], 1[S], 3[C], 3[O],
TRP	190	NE1	3	5	3[O],
ASP	202	OD1	2	5	2[O],
ILE	220	CD1	21	5	21[C],
ILE	220	CG2	1	5	1[C],
LYS	223	CE	17	5	17[C],
LYS	223	NZ	13	5	13[C],
LYS	223	CG	13	5	13[C],
LYS	223	CD	17	5	17[C],
LEU	226	CD2	23	5	1[N], 20[C], 2[O],
LEU	226	CG	26	5	22[C], 2[O], 2[N],
LEU	226	CD1	33	5	3[N], 25[C], 4[O], 1[S],
SER	229	OG	21	5	4[N], 3[O], 14[C],
THR	231	OG1	35	5	3[N], 28[C], 4[O],
THR	231	CG2	53	5	37[C], 4[O], 12[N],
ILE	234	CD1	13	5	4[C], 6[O], 3[N],
ARG	251	CZ	2	5	2[O],
ARG	251	CD	3	5	2[O], 1[P],
ARG	251	CG	4	5	1[P], 3[O],
ARG	251	NE	3	5	2[O], 1[P],
LEU	253	CD1	27	5	12[C], 13[O], 2[P],
LEU	253	CG	47	5	20[O], 20[C], 5[P], 2[N],
LEU	253	CD2	52	5	3[N], 5[P], 23[O], 21[C],
LYS	254	CE	26	5	2[P], 4[N], 10[O], 10[C],
LYS	254	CD	35	5	15[C], 12[O], 2[P], 6[N],
LYS	254	CG	42	5	12[O], 20[C], 2[P], 8[N],
LYS	254	NZ	18	5	5[C], 9[O], 2[P], 2[N],
PRO	256	CD	6	5	2[C], 2[O], 2[N],
PRO	256	CG	5	5	2[N], 3[O],
PHE	257	CD2	80	5	40[C], 22[O], 13[N], 5[P],
PHE	257	CE2	77	5	22[O], 39[C], 4[P], 12[N],
PHE	257	CZ	78	5	12[N], 4[P], 23[O], 39[C],
PHE	257	CG	75	5	20[O], 39[C], 3[P], 13[N],
PHE	257	CE1	79	5	1[S], 21[O], 39[C], 5[P], 13[N],
PHE	257	CD1	78	5	40[C], 21[O], 13[N], 4[P],
THR	258	CG2	13	5	6[N], 7[C],
THR	258	OG1	24	5	4[O], 11[C], 9[N],
LEU	260	CG	42	5	2[S], 12[O], 22[C], 6[N],
LEU	260	CD2	59	5	17[O], 29[C], 3[S], 10[N],
LEU	260	CD1	55	5	28[C], 16[O], 2[S], 9[N],
ASN	261	CG	20	5	10[N], 10[C],
ASN	261	ND2	20	5	10[N], 10[C],
ASN	261	OD1	23	5	10[N], 10[C], 3[O],
ARG	264	CZ	42	5	9[O], 22[C], 2[S], 9[N],
ARG	264	CG	17	5	5[O], 7[C], 2[S], 3[N],
ARG	264	CD	25	5	13[C], 5[O], 1[S], 6[N],
ARG	264	NE	33	5	8[O], 17[C], 2[S], 6[N],
ILE	267	CD1	17	5	1[N], 2[S], 8[C], 6[O],
ILE	267	CG2	6	5	3[O], 2[C], 1[N],
ILE	267	CG1	12	5	1[S], 5[C], 5[O], 1[N],
VAL	334	CG2	28	5	4[O], 14[C], 10[N],
VAL	334	CG1	29	5	10[N], 13[C], 6[O],
GLU	335	CG	3	5	3[N],
GLU	335	OE2	12	5	5[N], 1[O], 6[C],
GLU	335	OE1	12	5	5[N], 7[C],
GLU	335	CD	10	5	4[N], 6[C],
THR	337	CG2	1	5	1[N],
THR	337	OG1	4	5	1[C], 3[N],
SER	338	OG	11	5	2[N], 4[O], 5[C],
LYS	341	NZ	4	5	3[O], 1[C],
LYS	341	CE	2	5	2[O],
VAL	379	CG1	58	5	41[C], 9[O], 1[S], 7[N],
VAL	379	CG2	25	5	1[N], 24[C],
VAL	380	CG2	11	5	4[O], 6[C], 1[N],
VAL	380	CG1	5	5	1[N], 1[C], 3[O],
THR	382	CG2	94	5	47[C], 38[O], 3[N], 6[P],
THR	382	OG1	59	5	3[P], 23[O], 33[C],
TYR	383	CD2	88	5	3[S], 15[O], 58[C], 12[N],
TYR	383	CZ	66	5	1[S], 46[C], 12[O], 7[N],
TYR	383	CE1	74	5	10[N], 13[O], 48[C], 3[S],
TYR	383	CE2	67	5	8[N], 10[O], 46[C], 3[S],
TYR	383	CG	98	5	14[N], 63[C], 18[O], 3[S],
TYR	383	CD1	91	5	18[O], 58[C], 3[S], 12[N],
GLU	384	CG	79	5	15[N], 3[S], 43[C], 18[O],
GLU	384	OE1	67	5	13[N], 17[O], 34[C], 3[S],
GLU	384	CD	76	5	3[S], 20[O], 38[C], 15[N],
GLU	384	OE2	67	5	33[C], 19[O], 3[S], 12[N],
THR	386	OG1	86	5	6[P], 14[N], 25[O], 41[C],
THR	386	CG2	98	5	6[P], 12[N], 41[C], 39[O],
HIS	387	ND1	1	5	1[O],
HIS	387	CD2	1	5	1[O],
HIS	387	CG	3	5	3[O],
ASP	388	OD2	52	5	10[O], 29[C], 13[N],
ASP	388	OD1	36	5	19[C], 8[O], 9[N],
ASP	388	CG	50	5	28[C], 10[O], 12[N],
VAL	389	CG1	59	5	31[C], 14[O], 14[N],
VAL	389	CG2	101	5	19[N], 3[P], 30[O], 49[C],
HIS	390	ND1	16	5	8[C], 5[O], 3[N],
HIS	390	NE2	20	5	6[O], 10[C], 4[N],
HIS	390	CG	9	5	3[O], 5[C], 1[N],
HIS	390	CD2	9	5	3[O], 5[C], 1[N],
HIS	390	CE1	21	5	5[N], 5[O], 11[C],
LEU	392	CD2	34	5	3[O], 18[C], 13[N],
LEU	392	CG	26	5	13[N], 12[C], 1[O],
LEU	392	CD1	27	5	11[N], 1[O], 15[C],
ILE	393	CD1	38	5	5[N], 11[O], 22[C],
ILE	393	CG2	22	5	12[C], 6[O], 4[N],
ILE	393	CG1	33	5	4[N], 12[O], 17[C],
ARG	396	CD	18	5	2[C], 11[O], 1[N], 4[P],
ARG	396	CG	6	5	5[O], 1[P],
ARG	396	CZ	49	5	21[C], 20[O], 4[N], 4[P],
ARG	396	NE	31	5	16[O], 10[C], 4[P], 1[N],
PHE	404	CG	48	5	10[N], 3[P], 13[O], 22[C],
PHE	404	CZ	39	5	5[N], 4[P], 16[O], 14[C],
PHE	404	CD1	45	5	8[N], 4[P], 14[O], 19[C],
PHE	404	CD2	52	5	13[O], 25[C], 3[P], 11[N],
PHE	404	CE1	40	5	4[P], 5[N], 15[C], 16[O],
PHE	404	CE2	46	5	9[N], 3[P], 15[O], 19[C],
SER	405	OG	15	5	3[N], 2[P], 6[O], 4[C],
Total = 177


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