Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C4_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 C4_S1
Complex: GDP_A_2(3WYA) / Model_8(3WYA/A) = [8.0]	Download	1112.17	31.05	MSHQSDLISQDILAYLKQHEQKDLLRFLTCGNVDDGKSTLIGRLLYDSKLIYEDQLQAVTRDSKKVGTTGDAPDLALLVDGLQAEREQGITIDVAYRYFSTEKRKFIIADTPGHEQYTRNMATGASTADLAIILIDARYGVQTQTRRHTFIASLLGIKNIVVAINKMDLVEYSSERFNEIQVEYDAFVSQLGDRRPANILFVPISALNGDNVVNPSAHTPWYKGQTLMSILESVEINRESSKHEFRFPVQYVNRPNLDFRGFAGTVALGEIKVGDEIVALPSGKRSTVKEIVTFDGNLEQAVAGQAVTLTLNDEIDISRGNVLVRAGEQPLISRSVRASVVWMNEHPLVKGKLYNIKIGTQTVPAKVTNINYRVNVNTLEHTQVEELELNAIADVVVEFDAPVVFDRYQDSRYTGSFIFIDRLSNVTVGAGMVEAAVELTAHSNPVTAEDRAARLGQKPAVIGVSAQLIEKSQALESLLIKQGVVAIAKTSLTAEQLVLLRETGVVIITTSVDGTDTEITAETVEEAVEKIVGLVRL
Consensus [pKd Mean = 8.00]	-	1112 (s=0)	31 (s=0)	MSHQSDLISQDILAYLKQHEQKDLLRFLTCGNVDDGKSTLIGRLLYDSKLIYEDQLQAVTRDSKKVGTTGDAPDLALLVDGLQAEREQGITIDVAYRYFSTEKRKFIIADTPGHEQYTRNMATGASTADLAIILIDARYGVQTQTRRHTFIASLLGIKNIVVAINKMDLVEYSSERFNEIQVEYDAFVSQLGDRRPANILFVPISALNGDNVVNPSAHTPWYKGQTLMSILESVEINRESSKHEFRFPVQYVNRPNLDFRGFAGTVALGEIKVGDEIVALPSGKRSTVKEIVTFDGNLEQAVAGQAVTLTLNDEIDISRGNVLVRAGEQPLISRSVRASVVWMNEHPLVKGKLYNIKIGTQTVPAKVTNINYRVNVNTLEHTQVEELELNAIADVVVEFDAPVVFDRYQDSRYTGSFIFIDRLSNVTVGAGMVEAAVELTAHSNPVTAEDRAARLGQKPAVIGVSAQLIEKSQALESLLIKQGVVAIAKTSLTAEQLVLLRETGVVIITTSVDGTDTEITAETVEEAVEKIVGLVRL

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
THR	29	C	1	1	1[O],
THR	29	O	2	1	2[O],
THR	29	CG2	3	1	1[P], 2[O],
THR	29	CB	2	1	2[O],
CYS	30	O	2	1	1[P], 1[O],
CYS	30	CA	1	1	1[O],
CYS	30	C	1	1	1[O],
CYS	30	N	1	1	1[O],
GLY	31	CA	2	1	1[P], 1[O],
GLY	31	O	5	1	1[P], 4[O],
GLY	31	C	4	1	1[P], 3[O],
GLY	31	N	1	1	1[O],
ASN	32	CG	1	1	1[O],
ASN	32	O	10	1	2[P], 7[O], 1[C],
ASN	32	C	5	1	1[P], 4[O],
ASN	32	N	3	1	2[O], 1[P],
ASN	32	CB	2	1	2[O],
ASN	32	CA	3	1	1[P], 2[O],
VAL	33	CB	8	1	1[C], 5[O], 2[P],
VAL	33	N	5	1	4[O], 1[P],
VAL	33	CA	9	1	1[C], 2[P], 6[O],
VAL	33	CG2	9	1	2[P], 6[O], 1[C],
VAL	33	CG1	4	1	1[P], 3[O],
VAL	33	C	12	1	8[O], 2[P], 2[C],
VAL	33	O	11	1	2[P], 7[O], 2[C],
ASP	34	OD1	19	1	10[O], 2[P], 1[N], 6[C],
ASP	34	O	25	1	10[O], 2[P], 10[C], 3[N],
ASP	34	C	21	1	2[N], 8[C], 2[P], 9[O],
ASP	34	OD2	13	1	8[O], 2[P], 3[C],
ASP	34	CB	18	1	9[O], 2[P], 1[N], 6[C],
ASP	34	N	16	1	6[C], 2[P], 8[O],
ASP	34	CA	19	1	6[C], 2[N], 2[P], 9[O],
ASP	34	CG	16	1	5[C], 9[O], 2[P],
ASP	35	CA	20	1	8[O], 2[P], 2[N], 8[C],
ASP	35	OD1	6	1	4[O], 1[P], 1[C],
ASP	35	C	24	1	4[N], 9[C], 9[O], 2[P],
ASP	35	OD2	4	1	1[P], 3[O],
ASP	35	O	25	1	2[P], 9[O], 4[N], 10[C],
ASP	35	CG	6	1	1[C], 1[P], 4[O],
ASP	35	CB	12	1	7[O], 2[P], 2[C], 1[N],
ASP	35	N	20	1	2[N], 8[C], 2[P], 8[O],
GLY	36	CA	27	1	4[N], 10[C], 2[P], 11[O],
GLY	36	O	23	1	2[P], 10[O], 9[C], 2[N],
GLY	36	N	24	1	10[O], 2[P], 9[C], 3[N],
GLY	36	C	23	1	2[N], 9[C], 2[P], 10[O],
LYS	37	CG	9	1	2[P], 7[O],
LYS	37	CE	8	1	2[P], 6[O],
LYS	37	CD	7	1	2[P], 5[O],
LYS	37	CB	9	1	7[O], 2[P],
LYS	37	O	11	1	1[C], 1[N], 7[O], 2[P],
LYS	37	CA	12	1	7[O], 2[P], 2[C], 1[N],
LYS	37	NZ	10	1	7[O], 2[P], 1[C],
LYS	37	N	19	1	2[N], 7[C], 2[P], 8[O],
LYS	37	C	12	1	7[O], 2[P], 1[N], 2[C],
SER	38	C	16	1	2[N], 4[C], 8[O], 2[P],
SER	38	CB	15	1	2[P], 8[O], 5[C],
SER	38	CA	13	1	3[C], 1[N], 7[O], 2[P],
SER	38	N	14	1	7[O], 2[P], 1[N], 4[C],
SER	38	O	10	1	1[N], 1[C], 2[P], 6[O],
SER	38	OG	12	1	3[C], 2[P], 7[O],
THR	39	CA	23	1	2[N], 9[C], 10[O], 2[P],
THR	39	O	12	1	1[P], 4[O], 5[C], 2[N],
THR	39	N	21	1	2[N], 8[C], 2[P], 9[O],
THR	39	CB	26	1	2[P], 10[O], 10[C], 4[N],
THR	39	CG2	25	1	1[P], 9[O], 5[N], 10[C],
THR	39	C	17	1	2[P], 7[O], 6[C], 2[N],
THR	39	OG1	27	1	10[C], 4[N], 2[P], 11[O],
LEU	40	CA	7	1	2[C], 1[N], 1[P], 3[O],
LEU	40	C	1	1	1[O],
LEU	40	CB	8	1	1[N], 2[C], 1[P], 4[O],
LEU	40	CD1	2	1	1[N], 1[O],
LEU	40	N	17	1	2[N], 5[C], 8[O], 2[P],
LEU	40	CG	1	1	1[N],
ILE	41	CA	1	1	1[O],
ILE	41	CB	2	1	2[O],
ILE	41	CG1	2	1	2[O],
ILE	41	CD1	1	1	1[O],
ILE	41	N	2	1	2[O],
GLY	42	N	1	1	1[O],
GLY	42	CA	1	1	1[O],
ALA	76	CA	1	1	1[O],
VAL	79	CG2	2	1	1[O], 1[C],
VAL	79	CG1	9	1	1[P], 5[O], 3[C],
VAL	79	C	1	1	1[O],
VAL	79	CA	1	1	1[O],
VAL	79	CB	2	1	1[C], 1[O],
GLN	83	CG	5	1	1[P], 3[O], 1[C],
GLN	83	NE2	12	1	6[O], 1[P], 5[C],
GLN	83	CB	1	1	1[O],
GLN	83	CD	7	1	4[O], 1[P], 2[C],
GLN	83	OE1	4	1	3[O], 1[C],
THR	111	OG1	3	1	2[O], 1[P],
PRO	112	CG	1	1	1[O],
PRO	112	CB	4	1	1[P], 3[O],
PRO	112	C	2	1	2[O],
PRO	112	O	4	1	1[P], 3[O],
LEU	134	CG	5	1	1[P], 4[O],
LEU	134	CB	4	1	1[P], 3[O],
LEU	134	CA	1	1	1[O],
LEU	134	N	1	1	1[O],
LEU	134	CD2	1	1	1[O],
LEU	134	CD1	10	1	1[C], 1[N], 6[O], 2[P],
LEU	134	C	1	1	1[O],
LEU	134	O	1	1	1[O],
ASP	136	CA	2	1	1[N], 1[O],
ASP	136	CG	11	1	5[C], 4[N], 2[O],
ASP	136	CB	3	1	2[C], 1[N],
ASP	136	OD1	12	1	2[O], 5[N], 5[C],
ASP	136	OD2	14	1	2[O], 4[N], 8[C],
ALA	137	N	1	1	1[O],
TYR	139	CE1	3	1	1[O], 2[C],
ILE	164	O	1	1	1[O],
ILE	164	C	1	1	1[O],
ASN	165	CG	15	1	5[N], 6[C], 4[O],
ASN	165	N	4	1	1[O], 2[C], 1[N],
ASN	165	C	11	1	5[C], 5[N], 1[O],
ASN	165	CA	8	1	1[O], 2[N], 5[C],
ASN	165	O	9	1	3[N], 5[C], 1[O],
ASN	165	OD1	12	1	5[N], 6[C], 1[O],
ASN	165	ND2	24	1	7[O], 2[P], 10[C], 5[N],
ASN	165	CB	10	1	4[N], 5[C], 1[O],
LYS	166	CB	13	1	2[O], 6[C], 5[N],
LYS	166	CG	19	1	4[O], 10[C], 5[N],
LYS	166	NZ	27	1	10[C], 5[N], 10[O], 2[P],
LYS	166	CE	26	1	9[O], 2[P], 10[C], 5[N],
LYS	166	CA	13	1	2[O], 5[N], 6[C],
LYS	166	N	12	1	1[O], 5[N], 6[C],
LYS	166	O	9	1	4[N], 4[C], 1[O],
LYS	166	CD	22	1	6[O], 1[P], 5[N], 10[C],
LYS	166	C	11	1	1[O], 5[N], 5[C],
MET	167	CB	3	1	1[N], 1[C], 1[O],
MET	167	N	9	1	1[O], 4[N], 4[C],
MET	167	CG	1	1	1[O],
MET	167	CA	5	1	2[C], 2[N], 1[O],
MET	167	C	5	1	1[O], 2[C], 2[N],
MET	167	O	4	1	1[C], 2[N], 1[O],
ASP	168	CG	11	1	1[O], 5[N], 5[C],
ASP	168	C	6	1	1[O], 2[C], 3[N],
ASP	168	O	4	1	2[N], 2[C],
ASP	168	OD1	12	1	6[C], 5[N], 1[O],
ASP	168	CB	8	1	1[O], 3[N], 4[C],
ASP	168	OD2	12	1	1[O], 6[C], 5[N],
ASP	168	N	7	1	1[O], 3[C], 3[N],
ASP	168	CA	7	1	3[C], 3[N], 1[O],
LEU	169	N	8	1	1[O], 3[N], 4[C],
LEU	169	CA	6	1	1[O], 2[C], 3[N],
LEU	169	CG	13	1	2[O], 6[C], 5[N],
LEU	169	CB	8	1	1[O], 4[C], 3[N],
LEU	169	C	3	1	2[N], 1[C],
LEU	169	CD2	11	1	2[O], 5[C], 4[N],
LEU	169	O	1	1	1[N],
LEU	169	CD1	15	1	2[O], 5[N], 8[C],
VAL	170	N	2	1	2[N],
TYR	172	CE1	2	1	1[O], 1[N],
TYR	172	CZ	2	1	1[O], 1[N],
ILE	204	N	1	1	1[O],
ILE	204	O	7	1	1[O], 2[N], 4[C],
ILE	204	CB	2	1	1[C], 1[O],
ILE	204	CA	2	1	1[O], 1[C],
ILE	204	CG2	1	1	1[O],
ILE	204	CD1	4	1	1[O], 1[N], 2[C],
ILE	204	CG1	5	1	1[O], 2[C], 2[N],
ILE	204	C	6	1	3[C], 2[N], 1[O],
SER	205	C	11	1	5[N], 5[C], 1[O],
SER	205	O	10	1	1[O], 4[N], 5[C],
SER	205	N	6	1	1[O], 3[C], 2[N],
SER	205	CB	9	1	1[O], 4[N], 4[C],
SER	205	OG	11	1	1[O], 5[C], 5[N],
SER	205	CA	11	1	5[C], 5[N], 1[O],
ALA	206	CB	16	1	4[O], 1[P], 4[N], 7[C],
ALA	206	O	11	1	5[C], 4[N], 2[O],
ALA	206	N	11	1	5[C], 5[N], 1[O],
ALA	206	C	14	1	7[C], 5[N], 2[O],
ALA	206	CA	12	1	1[O], 5[N], 6[C],
LEU	207	CB	17	1	8[C], 5[N], 4[O],
LEU	207	CD2	17	1	8[C], 5[N], 4[O],
LEU	207	CA	15	1	5[N], 7[C], 3[O],
LEU	207	O	12	1	5[N], 5[C], 2[O],
LEU	207	C	12	1	2[O], 5[C], 5[N],
LEU	207	CG	17	1	4[O], 8[C], 5[N],
LEU	207	CD1	17	1	4[O], 8[C], 5[N],
LEU	207	N	15	1	5[N], 7[C], 3[O],
ASN	208	N	11	1	5[N], 5[C], 1[O],
ASN	208	OD1	8	1	1[O], 4[C], 3[N],
ASN	208	C	3	1	1[O], 1[C], 1[N],
ASN	208	CB	6	1	3[C], 2[N], 1[O],
ASN	208	ND2	6	1	1[O], 3[N], 2[C],
ASN	208	CA	7	1	1[O], 3[N], 3[C],
ASN	208	CG	7	1	1[O], 3[N], 3[C],
GLY	209	N	3	1	1[C], 1[N], 1[O],
GLY	209	CA	1	1	1[O],
GLY	209	C	1	1	1[O],
ASP	210	OD1	2	1	1[N], 1[O],
ASP	210	O	1	1	1[O],
ASP	210	N	1	1	1[O],
ASP	210	CB	1	1	1[O],
VAL	212	CG2	1	1	1[O],
Total = 197


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