Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C7_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 C7_S1
Complex: MAP_A_2(1QPG) / Model_79(1QPG/A) = [8.5]	Download	1353.53	19.06	MAKKTVKDIDLKDKKVLVRVDFNVPLKDGVITDDTRIKAALPTINYVLEQGGKAILFSHLGRVKTEEDKEGKSLAPVAKRLGELLGKEVTFVPETRGEQLEEAIRNMNDGDVVVFENTRFEDIDGKKESKNDTELGKYWASLGDVFVNDAFGTAHRAHASNVGIASTGIPTVAGFLMEKEIKFIGEAVEEPKRPMIAILGGAKVSDKIGVIENLIPKADKILIGGGMTYTFYEAKGIKIGNSLVEADKVELAKELIEKAGDKLVLPIDNVCAPEFSNDVETQVIEGDIPDGLMALDIGPASVKLFADTLQGAKTVVWNGPMGVFEMSNFAKGTIGVCEAIANLEGATTIIGGGDSAAAAEQLGFADKFTHISTGGGASLELLEGKELPGLAAINDK
Complex: ACP_A_4(2X14) / Model_45(2X14/A) = [8.4]	Download	1069.60	11.63	MAKKTVKDIDLKDKKVLVRVDFNVPLKDGVITDDTRIKAALPTINYVLEQGGKAILFSHLGRVKTEEDKEGKSLAPVAKRLGELLGKEVTFVPETRGEQLEEAIRNMNDGDVVVFENTRFEDIDGKKESKNDTELGKYWASLGDVFVNDAFGTAHRAHASNVGIASTGIPTVAGFLMEKEIKFIGEAVEEPKRPMIAILGGAKVSDKIGVIENLIPKADKILIGGGMTYTFYEAKGIKIGNSLVEADKVELAKELIEKAGDKLVLPIDNVCAPEFSNDVETQVIEGDIPDGLMALDIGPASVKLFADTLQGAKTVVWNGPMGVFEMSNFAKGTIGVCEAIANLEGATTIIGGGDSAAAAEQLGFADKFTHISTGGGASLELLEGKELPGLAAINDK
Complex: ANP_A_3(1VPE) / Model_3(1VPE/A) = [8.2]	Download	1164.98	19.21	MAKKTVKDIDLKDKKVLVRVDFNVPLKDGVITDDTRIKAALPTINYVLEQGGKAILFSHLGRVKTEEDKEGKSLAPVAKRLGELLGKEVTFVPETRGEQLEEAIRNMNDGDVVVFENTRFEDIDGKKESKNDTELGKYWASLGDVFVNDAFGTAHRAHASNVGIASTGIPTVAGFLMEKEIKFIGEAVEEPKRPMIAILGGAKVSDKIGVIENLIPKADKILIGGGMTYTFYEAKGIKIGNSLVEADKVELAKELIEKAGDKLVLPIDNVCAPEFSNDVETQVIEGDIPDGLMALDIGPASVKLFADTLQGAKTVVWNGPMGVFEMSNFAKGTIGVCEAIANLEGATTIIGGGDSAAAAEQLGFADKFTHISTGGGASLELLEGKELPGLAAINDK
Complex: BIS_A_2(16PK) / Model_81(16PK/A) = [7.0]	Download	1964.57	14.00	MAKKTVKDIDLKDKKVLVRVDFNVPLKDGVITDDTRIKAALPTINYVLEQGGKAILFSHLGRVKTEEDKEGKSLAPVAKRLGELLGKEVTFVPETRGEQLEEAIRNMNDGDVVVFENTRFEDIDGKKESKNDTELGKYWASLGDVFVNDAFGTAHRAHASNVGIASTGIPTVAGFLMEKEIKFIGEAVEEPKRPMIAILGGAKVSDKIGVIENLIPKADKILIGGGMTYTFYEAKGIKIGNSLVEADKVELAKELIEKAGDKLVLPIDNVCAPEFSNDVETQVIEGDIPDGLMALDIGPASVKLFADTLQGAKTVVWNGPMGVFEMSNFAKGTIGVCEAIANLEGATTIIGGGDSAAAAEQLGFADKFTHISTGGGASLELLEGKELPGLAAINDK
Complex: LA8_A_5(2Y3I) / Model_42(2Y3I/A) = [6.6]	Download	778.33	19.31	MAKKTVKDIDLKDKKVLVRVDFNVPLKDGVITDDTRIKAALPTINYVLEQGGKAILFSHLGRVKTEEDKEGKSLAPVAKRLGELLGKEVTFVPETRGEQLEEAIRNMNDGDVVVFENTRFEDIDGKKESKNDTELGKYWASLGDVFVNDAFGTAHRAHASNVGIASTGIPTVAGFLMEKEIKFIGEAVEEPKRPMIAILGGAKVSDKIGVIENLIPKADKILIGGGMTYTFYEAKGIKIGNSLVEADKVELAKELIEKAGDKLVLPIDNVCAPEFSNDVETQVIEGDIPDGLMALDIGPASVKLFADTLQGAKTVVWNGPMGVFEMSNFAKGTIGVCEAIANLEGATTIIGGGDSAAAAEQLGFADKFTHISTGGGASLELLEGKELPGLAAINDK
Consensus [pKd Mean = 7.74]	-	1266 (s=395)	16 (s=3)	MAKKTVKDIDLKDKKVLVRVDFNVPLKDGVITDDTRIKAALPTINYVLEQGGKAILFSHLGRVKTEEDKEGKSLAPVAKRLGELLGKEVTFVPETRGEQLEEAIRNMNDGDVVVFENTRFEDIDGKKESKNDTELGKYWASLGDVFVNDAFGTAHRAHASNVGIASTGIPTVAGFLMEKEIKFIGEAVEEPKRPMIAILGGAKVSDKIGVIENLIPKADKILIGGGMTYTFYEAKGIKIGNSLVEADKVELAKELIEKAGDKLVLPIDNVCAPEFSNDVETQVIEGDIPDGLMALDIGPASVKLFADTLQGAKTVVWNGPMGVFEMSNFAKGTIGVCEAIANLEGATTIIGGGDSAAAAEQLGFADKFTHISTGGGASLELLEGKELPGLAAINDK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ARG	19	CZ	3	10	1[O], 2[C],
ASP	21	OD1	10	10	3[C], 6[O], 1[P],
ASP	21	CG	10	10	3[C], 1[P], 6[O],
ASP	21	OD2	16	10	11[O], 2[P], 3[C],
ASN	23	ND2	27	10	17[O], 4[P], 2[F], 4[C],
ASN	23	OD1	12	10	1[P], 8[O], 3[C],
ASN	23	CG	18	10	3[C], 1[F], 12[O], 2[P],
PRO	25	CG	3	10	3[O],
PRO	25	CD	2	10	2[O],
ARG	36	CG	4	10	2[O], 2[C],
ARG	36	CZ	29	10	5[C], 1[F], 18[O], 5[P],
ARG	36	NE	18	10	3[C], 2[P], 12[O], 1[F],
ARG	36	CD	7	10	5[O], 2[C],
SER	58	OG	1	10	1[O],
HIS	59	CE1	12	10	3[C], 1[P], 8[O],
HIS	59	CD2	12	10	3[C], 1[P], 8[O],
HIS	59	CG	10	10	3[C], 1[P], 6[O],
HIS	59	NE2	13	10	9[O], 1[P], 3[C],
HIS	59	ND1	11	10	3[C], 1[P], 7[O],
ARG	62	CD	6	10	1[C], 1[P], 4[O],
ARG	62	CZ	16	10	2[P], 11[O], 3[C],
ARG	62	CG	6	10	1[C], 1[P], 4[O],
ARG	62	NE	15	10	11[O], 1[P], 3[C],
ARG	119	NE	8	10	2[C], 5[O], 1[P],
ARG	119	CD	7	10	1[P], 5[O], 1[C],
ARG	119	CG	3	10	1[P], 2[O],
ARG	119	CZ	10	10	3[C], 1[P], 6[O],
PHE	151	CE2	1	10	1[O],
PHE	151	CD2	1	10	1[O],
THR	153	OG1	11	10	1[P], 7[O], 3[C],
THR	153	CG2	14	10	3[C], 9[O], 2[P],
HIS	155	CE1	22	10	14[O], 3[P], 1[F], 4[C],
HIS	155	NE2	22	10	13[O], 3[P], 1[F], 5[C],
HIS	155	ND1	15	10	3[C], 9[O], 3[P],
HIS	155	CD2	17	10	3[P], 11[O], 3[C],
HIS	155	CG	13	10	3[C], 8[O], 2[P],
ARG	156	CZ	11	10	7[O], 1[P], 3[C],
ARG	156	CG	10	10	3[C], 1[P], 6[O],
ARG	156	CD	10	10	1[P], 6[O], 3[C],
ARG	156	NE	12	10	3[C], 8[O], 1[P],
HIS	158	CG	1	10	1[O],
HIS	158	NE2	3	10	2[O], 1[P],
HIS	158	ND1	5	10	3[O], 1[P], 1[C],
HIS	158	CD2	1	10	1[O],
HIS	158	CE1	6	10	1[C], 4[O], 1[P],
LEU	199	CD2	3	10	3[O],
LYS	203	CD	74	10	1[N], 49[O], 14[P], 10[C],
LYS	203	NZ	63	10	42[O], 1[N], 11[P], 9[C],
LYS	203	CG	81	10	12[C], 54[O], 1[N], 14[P],
LYS	203	CE	69	10	1[N], 45[O], 13[P], 10[C],
VAL	204	CG2	20	10	3[O], 10[N], 7[C],
ASP	206	CG	37	10	1[F], 28[O], 8[P],
ASP	206	OD2	53	10	37[O], 11[P], 1[F], 4[C],
ASP	206	OD1	31	10	2[C], 1[F], 7[P], 21[O],
LYS	207	CG	65	10	1[C], 2[N], 43[O], 18[P], 1[F],
LYS	207	NZ	130	10	27[C], 2[F], 21[P], 4[N], 75[O],
LYS	207	CD	90	10	6[C], 2[F], 20[P], 2[N], 60[O],
LYS	207	CE	116	10	21[P], 2[N], 73[O], 2[F], 17[C],
VAL	210	CG1	1	10	1[O],
VAL	210	CG2	2	10	2[O],
MET	227	CG	15	10	3[C], 8[O], 1[P], 3[N],
MET	227	CE	12	10	3[P], 9[O],
MET	227	SD	14	10	2[P], 12[O],
THR	228	OG1	34	10	12[C], 1[O], 21[N],
THR	228	CG2	7	10	7[N],
TYR	229	CE2	29	10	18[N], 11[C],
TYR	229	CD1	62	10	1[O], 30[N], 31[C],
TYR	229	CE1	68	10	35[C], 1[O], 32[N],
TYR	229	CG	35	10	18[N], 17[C],
TYR	229	CD2	29	10	11[C], 18[N],
TYR	229	CZ	49	10	25[C], 24[N],
SER	242	OG	29	10	13[C], 16[N],
LEU	243	CD1	118	10	60[C], 1[P], 20[O], 37[N],
LEU	243	CG	97	10	48[C], 8[O], 41[N],
LEU	243	CD2	96	10	9[O], 1[P], 38[N], 48[C],
GLU	245	CD	1	10	1[O],
GLU	245	OE2	3	10	2[O], 1[P],
ASN	269	ND2	1	10	1[N],
ASN	269	CG	7	10	7[N],
ASN	269	OD1	12	10	7[N], 5[C],
PHE	275	CD1	64	10	6[O], 27[N], 31[C],
PHE	275	CE1	107	10	56[C], 35[N], 16[O],
PHE	275	CE2	104	10	18[O], 31[N], 55[C],
PHE	275	CG	41	10	3[O], 18[N], 20[C],
PHE	275	CD2	55	10	5[O], 24[N], 26[C],
PHE	275	CZ	132	10	37[N], 22[O], 73[C],
MET	293	SD	35	10	16[C], 19[N],
MET	293	CE	22	10	11[N], 11[C],
MET	293	CG	32	10	18[N], 14[C],
LEU	295	CD2	101	10	51[C], 7[O], 43[N],
LEU	295	CD1	62	10	29[N], 33[C],
LEU	295	CG	82	10	41[C], 1[O], 40[N],
ASP	296	OD2	13	10	7[C], 5[N], 1[O],
ASP	296	CG	21	10	5[C], 1[O], 15[N],
ASP	296	OD1	28	10	12[N], 16[C],
ILE	297	CG2	13	10	12[N], 1[O],
ILE	297	CG1	2	10	2[N],
ILE	297	CD1	2	10	2[N],
TRP	317	CD2	2	10	2[O],
TRP	317	CZ2	2	10	2[O],
TRP	317	CE2	5	10	5[O],
TRP	317	CD1	10	10	9[O], 1[P],
TRP	317	CG	5	10	5[O],
TRP	317	NE1	11	10	9[O], 2[P],
ASN	318	OD1	85	10	2[F], 2[N], 18[P], 57[O], 5[C],
ASN	318	CG	76	10	2[C], 1[F], 53[O], 2[N], 17[P],
ASN	318	ND2	64	10	1[C], 2[N], 46[O], 14[P],
PRO	320	CG	203	10	75[C], 2[F], 1[M], 82[O], 26[N], 17[P],
PRO	320	CD	210	10	1[M], 23[N], 91[O], 20[P], 2[F], 73[C],
MET	321	CE	11	10	1[O], 5[N], 5[C],
MET	321	SD	7	10	2[C], 5[N],
MET	321	CG	13	10	1[O], 7[N], 5[C],
VAL	323	CG2	156	10	85[C], 43[N], 28[O],
VAL	323	CG1	152	10	28[O], 43[N], 81[C],
PHE	324	CZ	90	10	42[C], 2[N], 4[P], 42[O],
PHE	324	CE2	98	10	8[N], 42[O], 6[P], 42[C],
PHE	324	CD1	69	10	36[C], 6[N], 27[O],
PHE	324	CG	83	10	47[C], 11[N], 25[O],
PHE	324	CE1	74	10	35[C], 30[O], 5[N], 4[P],
PHE	324	CD2	87	10	9[N], 1[P], 33[O], 44[C],
GLU	325	CG	78	10	44[C], 7[N], 27[O],
GLU	325	OE2	150	10	70[C], 53[O], 6[P], 21[N],
GLU	325	OE1	142	10	37[O], 25[N], 80[C],
GLU	325	CD	128	10	68[C], 37[O], 23[N],
MET	326	CG	7	10	7[O],
MET	326	CE	12	10	4[C], 2[N], 6[O],
MET	326	SD	5	10	5[O],
PHE	329	CD1	1	10	1[N],
PHE	329	CG	6	10	2[C], 4[N],
PHE	329	CE2	3	10	1[C], 2[N],
PHE	329	CD2	6	10	3[N], 1[O], 2[C],
PHE	329	CE1	1	10	1[N],
PHE	329	CZ	1	10	1[N],
THR	333	CG2	4	10	2[C], 2[O],
THR	333	OG1	41	10	21[C], 13[N], 7[O],
ILE	350	CG2	7	10	1[P], 6[O],
ASP	354	OD2	159	10	9[N], 19[P], 82[O], 1[M], 48[C],
ASP	354	CG	157	10	47[C], 1[F], 8[N], 19[P], 81[O], 1[M],
ASP	354	OD1	144	10	46[C], 3[N], 77[O], 16[P], 1[F],
SER	355	OG	82	10	11[C], 1[F], 51[O], 2[N], 16[P],
SER	372	OG	1	10	1[O],
THR	373	OG1	5	10	1[C], 4[O],
THR	373	CG2	2	10	2[O],
SER	378	OG	19	10	2[F], 10[O], 4[P], 3[C],
LEU	379	CD2	41	10	3[C], 27[O], 9[P], 2[F],
LEU	379	CG	31	10	2[C], 2[F], 18[O], 1[N], 8[P],
LEU	379	CD1	32	10	2[C], 2[F], 2[N], 18[O], 8[P],
Total = 147


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