Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C2_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 C2_S1
Complex: NACID_R_2(2C0B) / Model_3(2C0B/L) = [14.1]	Download	-	-	MKRMLINATHAEEVRVALITGNRLYDFDLENRTREQKKSNIYKGHVTRVEPSLEAVFVEYGAGRQGFLSMREIANSYFQADPRQTSNIRELITEGTELLVQVEKEERGNKGAALSTFISLAGRYLVLMPNNPKGGGISRQISGSVREELKEILASLNVPRGMSVIVRTAGIGRTQEELQLDLQHLLDLWAQIQGTASSGPSPMLVHQEAGVVTRAIRDYLRDDVAEILIDSEQAYNEAYNFVKAVMPRQLDKLKTYTLNEPLFAHFGIESQIQTAYEREVKLPSGGSIVIDQTEALVSIDINSAKSTRGHDVEETALNTNLEAAEEIARQLRLRDIGGLVVIDFIDMTKERNQRMVEAKLREATQSDRARIQFGQLSRFGLMEMSRQRLRPSLEEATGYVCPRCHGTGMVRDLRSLSLSIMRKVEEIALRERHGEVQVEVPVEIAAFLLNEKRHSLVYLEQTSGVRVTVLPHPHLETPHYEIAYNPDGFAPSSYERTEATRSSEKELGYESSEWHLEEADHGHAHVTATASTHAAAQKKANHATQPVAQPSAQKAASPCAWLENLFVQKQAQTVDQSRSAQNAAAAIEQMVNTGAVSRGQFGQVAVPAVAEVAPVQSNNAYISQSPVKQDVREHVEKDDKSQQQRQNNKKRKHKEQREQHHQSHEQQHQVHEEVVQLSRQEQRELKRQQKRQQQQDQQHQNNDVQHTENAVPRRDRNNQQRPNRPNRHRDPSVLNENQNTPVVVDEKQIKVDVIDAPKHDVMNTALIINVDQGQSEIVALTPERRHVERVETTSTEVAQEPTPAPVVAEKAAVVETKEEAQPSQEAAQPQIKRASNDPRMRRRQQREAKHAKAATPSIAPSQIPTLAQHTIGSLIRHVYGEDCTVLIEQFGLVPTFNRALQKFAEQYASTLVVEVTAETEEKKPVTRDAELPSHKPAEEAEPAPVLPLTPPQAPAPRVANDPRERRRLAKLAAEQAFEQVKQQHSAQEEVATPAPVAEETVAAPTAETQATVEPAQQPLELNQSTEVVQPEAAPAEEKATEETVAEAPAAKEPTPSKAASKAKAAAEETVAPTEATTDAESEDVKADKDKPSRPRRPRGRPPKKANPVAE
Consensus [pKd Mean = 14.10]	-	0 (s=0)	0 (s=0)	MKRMLINATHAEEVRVALITGNRLYDFDLENRTREQKKSNIYKGHVTRVEPSLEAVFVEYGAGRQGFLSMREIANSYFQADPRQTSNIRELITEGTELLVQVEKEERGNKGAALSTFISLAGRYLVLMPNNPKGGGISRQISGSVREELKEILASLNVPRGMSVIVRTAGIGRTQEELQLDLQHLLDLWAQIQGTASSGPSPMLVHQEAGVVTRAIRDYLRDDVAEILIDSEQAYNEAYNFVKAVMPRQLDKLKTYTLNEPLFAHFGIESQIQTAYEREVKLPSGGSIVIDQTEALVSIDINSAKSTRGHDVEETALNTNLEAAEEIARQLRLRDIGGLVVIDFIDMTKERNQRMVEAKLREATQSDRARIQFGQLSRFGLMEMSRQRLRPSLEEATGYVCPRCHGTGMVRDLRSLSLSIMRKVEEIALRERHGEVQVEVPVEIAAFLLNEKRHSLVYLEQTSGVRVTVLPHPHLETPHYEIAYNPDGFAPSSYERTEATRSSEKELGYESSEWHLEEADHGHAHVTATASTHAAAQKKANHATQPVAQPSAQKAASPCAWLENLFVQKQAQTVDQSRSAQNAAAAIEQMVNTGAVSRGQFGQVAVPAVAEVAPVQSNNAYISQSPVKQDVREHVEKDDKSQQQRQNNKKRKHKEQREQHHQSHEQQHQVHEEVVQLSRQEQRELKRQQKRQQQQDQQHQNNDVQHTENAVPRRDRNNQQRPNRPNRHRDPSVLNENQNTPVVVDEKQIKVDVIDAPKHDVMNTALIINVDQGQSEIVALTPERRHVERVETTSTEVAQEPTPAPVVAEKAAVVETKEEAQPSQEAAQPQIKRASNDPRMRRRQQREAKHAKAATPSIAPSQIPTLAQHTIGSLIRHVYGEDCTVLIEQFGLVPTFNRALQKFAEQYASTLVVEVTAETEEKKPVTRDAELPSHKPAEEAEPAPVLPLTPPQAPAPRVANDPRERRRLAKLAAEQAFEQVKQQHSAQEEVATPAPVAEETVAAPTAETQATVEPAQQPLELNQSTEVVQPEAAPAEEKATEETVAEAPAAKEPTPSKAASKAKAAAEETVAPTEATTDAESEDVKADKDKPSRPRRPRGRPPKKANPVAE

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
GLU	50	OE1	1	1	1[O],
PHE	57	CE2	15	1	5[O], 7[C], 2[N], 1[P],
PHE	57	CD1	3	1	1[C], 2[O],
PHE	57	CE1	10	1	3[O], 1[P], 1[N], 5[C],
PHE	57	CG	2	1	1[C], 1[O],
PHE	57	CZ	14	1	5[O], 1[P], 7[C], 1[N],
PHE	57	CD2	7	1	3[O], 1[N], 3[C],
ARG	64	CD	1	1	1[O],
GLN	65	O	1	1	1[O],
PHE	67	CZ	19	1	7[N], 9[C], 3[O],
PHE	67	CE1	25	1	7[N], 14[C], 4[O],
PHE	67	CA	8	1	2[O], 4[C], 2[N],
PHE	67	CG	12	1	3[N], 6[C], 3[O],
PHE	67	O	2	1	1[O], 1[C],
PHE	67	CD1	23	1	5[O], 5[N], 13[C],
PHE	67	CB	10	1	5[C], 2[N], 3[O],
PHE	67	CE2	13	1	7[C], 5[N], 1[O],
PHE	67	N	7	1	2[O], 2[N], 3[C],
PHE	67	C	4	1	1[O], 2[C], 1[N],
PHE	67	CD2	11	1	1[O], 6[C], 4[N],
SER	69	OG	1	1	1[N],
SER	69	CB	2	1	2[N],
ARG	71	CZ	1	1	1[O],
GLU	103	OE2	1	1	1[O],
GLU	103	CD	1	1	1[O],
GLU	103	CB	1	1	1[O],
GLU	103	OE1	2	1	1[O], 1[N],
GLU	103	CG	1	1	1[O],
LYS	104	CD	12	1	4[C], 2[N], 1[P], 5[O],
LYS	104	NZ	29	1	8[O], 2[P], 7[N], 12[C],
LYS	104	CG	2	1	2[O],
LYS	104	CE	16	1	3[N], 5[C], 1[P], 7[O],
ARG	107	NE	1	1	1[O],
ARG	107	CZ	4	1	3[O], 1[P],
ASN	109	CA	2	1	2[O],
ASN	109	O	4	1	2[C], 2[O],
ASN	109	CB	1	1	1[O],
ASN	109	C	4	1	2[C], 2[O],
LYS	110	CB	12	1	4[O], 6[C], 2[N],
LYS	110	NZ	17	1	7[O], 2[P], 3[N], 5[C],
LYS	110	N	6	1	2[O], 2[C], 2[N],
LYS	110	O	3	1	1[O], 1[C], 1[N],
LYS	110	CG	15	1	5[O], 1[P], 7[C], 2[N],
LYS	110	CE	33	1	5[N], 14[C], 2[P], 12[O],
LYS	110	CA	11	1	6[C], 2[N], 3[O],
LYS	110	CD	23	1	10[C], 4[N], 2[P], 7[O],
LYS	110	C	9	1	2[N], 4[C], 3[O],
GLY	111	O	2	1	1[N], 1[O],
GLY	111	CA	6	1	2[O], 2[C], 2[N],
GLY	111	N	11	1	3[O], 2[N], 6[C],
GLY	111	C	5	1	1[N], 2[C], 2[O],
ALA	112	CA	5	1	2[O], 1[N], 2[C],
ALA	112	O	6	1	3[C], 1[N], 2[O],
ALA	112	C	5	1	1[N], 3[C], 1[O],
ALA	112	N	5	1	2[O], 1[N], 2[C],
ALA	113	CB	5	1	1[O], 2[C], 2[N],
ALA	113	N	3	1	1[O], 1[C], 1[N],
ALA	113	C	1	1	1[O],
ALA	113	CA	3	1	1[O], 1[C], 1[N],
SER	119	OG	3	1	1[O], 1[C], 1[N],
SER	119	CB	5	1	2[C], 1[N], 2[O],
LEU	120	C	1	1	1[O],
ALA	121	N	1	1	1[O],
ALA	121	CA	3	1	2[C], 1[O],
ALA	121	CB	4	1	1[N], 2[C], 1[O],
VAL	126	CG1	8	1	4[C], 2[N], 2[O],
VAL	126	CB	10	1	3[O], 2[N], 5[C],
VAL	126	CG2	11	1	5[C], 2[N], 4[O],
MET	128	SD	1	1	1[O],
MET	128	CE	1	1	1[O],
LYS	133	CD	1	1	1[O],
LYS	133	CG	1	1	1[O],
LYS	133	O	3	1	3[O],
LYS	133	C	1	1	1[O],
LYS	133	CE	4	1	3[O], 1[P],
LYS	133	NZ	4	1	3[O], 1[P],
GLY	134	O	4	1	2[C], 1[N], 1[O],
GLY	134	N	2	1	1[O], 1[N],
GLY	134	CA	7	1	3[O], 2[N], 2[C],
GLY	134	C	7	1	2[C], 2[N], 3[O],
GLY	135	CA	11	1	2[O], 2[N], 7[C],
GLY	135	O	16	1	6[O], 1[P], 2[N], 7[C],
GLY	135	C	16	1	6[O], 1[P], 7[C], 2[N],
GLY	135	N	14	1	1[P], 7[C], 2[N], 4[O],
GLY	136	O	11	1	4[O], 1[N], 6[C],
GLY	136	C	12	1	1[N], 6[C], 5[O],
GLY	136	N	12	1	4[O], 2[N], 6[C],
GLY	136	CA	12	1	6[C], 2[N], 4[O],
ILE	137	CA	9	1	3[O], 1[N], 5[C],
ILE	137	CG1	11	1	5[C], 1[N], 5[O],
ILE	137	O	21	1	8[O], 11[C], 1[N], 1[P],
ILE	137	N	14	1	6[O], 7[C], 1[N],
ILE	137	CG2	4	1	2[O], 2[C],
ILE	137	C	15	1	5[O], 8[C], 1[N], 1[P],
ILE	137	CB	5	1	3[C], 2[O],
ILE	137	CD1	5	1	2[O], 3[C],
SER	138	CA	15	1	1[P], 7[C], 7[O],
SER	138	C	10	1	5[C], 1[P], 4[O],
SER	138	O	2	1	2[O],
SER	138	CB	11	1	2[P], 3[C], 6[O],
SER	138	N	15	1	5[O], 1[P], 1[N], 8[C],
SER	138	OG	11	1	6[O], 2[P], 3[C],
ARG	139	NE	22	1	1[P], 11[C], 2[N], 8[O],
ARG	139	CZ	26	1	8[O], 12[C], 5[N], 1[P],
ARG	139	O	1	1	1[O],
ARG	139	CB	8	1	2[C], 1[P], 5[O],
ARG	139	CG	13	1	7[O], 5[C], 1[P],
ARG	139	CA	7	1	4[O], 2[C], 1[P],
ARG	139	C	1	1	1[O],
ARG	139	CD	12	1	6[O], 1[P], 4[C], 1[N],
ARG	139	N	12	1	5[O], 6[C], 1[P],
GLN	140	CG	3	1	1[C], 2[O],
GLN	140	CD	6	1	4[O], 1[P], 1[C],
GLN	140	NE2	7	1	2[C], 1[P], 4[O],
GLN	140	N	1	1	1[O],
GLN	140	CB	1	1	1[O],
GLN	140	OE1	4	1	3[O], 1[P],
VAL	164	O	1	1	1[O],
ILE	165	CA	2	1	1[C], 1[N],
ILE	165	CD1	25	1	7[O], 3[N], 14[C], 1[P],
ILE	165	CG2	15	1	2[N], 9[C], 4[O],
ILE	165	CG1	16	1	6[O], 2[N], 8[C],
ILE	165	CB	12	1	3[N], 7[C], 2[O],
VAL	166	C	4	1	2[O], 2[C],
VAL	166	O	5	1	2[C], 3[O],
ARG	167	CB	6	1	4[O], 1[C], 1[P],
ARG	167	CD	12	1	5[O], 1[P], 1[N], 5[C],
ARG	167	CA	7	1	4[O], 2[C], 1[P],
ARG	167	CG	10	1	1[P], 4[C], 5[O],
ARG	167	NE	8	1	4[O], 3[C], 1[P],
ARG	167	CZ	9	1	4[O], 1[P], 1[N], 3[C],
ARG	167	C	6	1	3[O], 1[P], 2[C],
ARG	167	O	2	1	1[C], 1[O],
ARG	167	N	5	1	2[C], 3[O],
THR	168	C	2	1	1[O], 1[P],
THR	168	OG1	9	1	1[P], 3[C], 5[O],
THR	168	CG2	3	1	1[P], 2[O],
THR	168	N	8	1	5[O], 1[P], 2[C],
THR	168	CB	6	1	1[C], 1[P], 4[O],
THR	168	CA	5	1	3[O], 1[P], 1[C],
THR	168	O	1	1	1[O],
ALA	169	CB	1	1	1[O],
ALA	169	N	1	1	1[O],
ASP	218	OD1	4	1	2[C], 2[O],
ASP	218	O	2	1	2[O],
ARG	221	CZ	1	1	1[O],
ARG	221	NE	1	1	1[O],
ALA	295	O	1	1	1[O],
GLY	337	O	2	1	2[O],
GLY	337	C	4	1	3[O], 1[P],
GLY	338	CA	13	1	1[P], 5[C], 7[O],
GLY	338	O	7	1	3[C], 4[O],
GLY	338	N	10	1	1[P], 3[C], 6[O],
GLY	338	C	10	1	1[P], 4[C], 5[O],
LEU	339	N	7	1	3[O], 3[C], 1[P],
LEU	339	CG	8	1	3[O], 4[C], 1[P],
LEU	339	CD2	6	1	3[O], 3[C],
LEU	339	CA	3	1	3[O],
LEU	339	CB	3	1	3[O],
LEU	339	CD1	4	1	2[O], 2[C],
ARG	368	NE	1	1	1[O],
ARG	368	O	1	1	1[O],
ARG	368	CD	3	1	1[P], 2[O],
ARG	368	CZ	1	1	1[O],
ARG	368	CG	2	1	1[O], 1[P],
ARG	368	CB	1	1	1[O],
ARG	370	NE	24	1	11[O], 2[P], 1[N], 10[C],
ARG	370	N	5	1	2[O], 3[C],
ARG	370	CA	5	1	2[O], 3[C],
ARG	370	CD	26	1	1[P], 11[C], 3[N], 11[O],
ARG	370	CB	15	1	7[O], 1[N], 7[C],
ARG	370	CZ	26	1	13[O], 1[N], 10[C], 2[P],
ARG	370	O	7	1	3[O], 4[C],
ARG	370	C	6	1	4[C], 2[O],
ARG	370	CG	15	1	8[C], 1[N], 6[O],
ILE	371	O	1	1	1[O],
ILE	371	N	3	1	2[C], 1[O],
ILE	371	CA	1	1	1[O],
ILE	371	C	1	1	1[O],
GLN	372	N	1	1	1[O],
GLN	372	CB	3	1	1[O], 1[N], 1[C],
GLN	372	OE1	4	1	2[N], 2[C],
GLN	372	NE2	1	1	1[C],
GLN	372	CD	2	1	1[N], 1[C],
SER	385	OG	10	1	3[O], 5[C], 2[N],
SER	385	CB	11	1	4[O], 2[N], 5[C],
SER	385	CA	5	1	3[O], 2[C],
SER	385	C	4	1	2[O], 2[C],
SER	385	O	2	1	1[O], 1[C],
ARG	386	CB	1	1	1[O],
ARG	386	N	5	1	3[O], 2[C],
ARG	386	O	12	1	6[O], 1[P], 5[C],
ARG	386	C	10	1	1[P], 4[C], 5[O],
ARG	386	CA	5	1	3[O], 2[C],
GLN	387	CG	15	1	8[O], 5[C], 2[P],
GLN	387	OE1	12	1	6[O], 1[P], 5[C],
GLN	387	N	13	1	6[C], 1[P], 6[O],
GLN	387	CD	15	1	2[P], 5[C], 8[O],
GLN	387	NE2	16	1	9[O], 5[C], 2[P],
GLN	387	C	11	1	5[O], 1[P], 5[C],
GLN	387	CB	17	1	8[O], 1[N], 7[C], 1[P],
GLN	387	CA	15	1	1[P], 7[C], 7[O],
GLN	387	O	3	1	1[P], 2[O],
ARG	388	CZ	7	1	1[P], 1[C], 5[O],
ARG	388	N	9	1	4[O], 4[C], 1[P],
ARG	388	O	2	1	1[O], 1[P],
ARG	388	NE	11	1	6[O], 2[P], 3[C],
ARG	388	CA	4	1	1[P], 3[O],
ARG	388	C	2	1	1[O], 1[P],
ARG	388	CG	4	1	3[O], 1[P],
ARG	388	CB	4	1	3[O], 1[P],
ARG	388	CD	7	1	2[P], 5[O],
LEU	389	N	1	1	1[O],
Total = 213


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