Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_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 C1_S1
Complex: SUGAR_A_2(2XD3) / Model_2(2XD3/A) = [8.1]	Download	-	-	MSSKFMKSTAVLGTVTLASLLLVACGSKTADKPADSGSSEVKELTVYVDEGYKSYIEEVAKAYEKEAGVKVTLKTGDALGGLDKLSLDNQSGNVPDVMMAPYDRVGSLGSDGQLSEVKLSDGAKTDDTTKSLVTAANGKVYGAPAVIESLVMYYNKDLVKDAPKTFADLENLAKDSKYAFAGEDGKTTAFLADWTNFYYTYGLLAGNGAYVFGQNGKDAKDIGLANDGSIAGINYAKSWYEKWPKGMQDTEGAGNLIQTQFQEGKTAAIIDGPWKAQAFKDAKVNYGVATIPTLPNGKEYAAFGGGKAWVIPQAVKNLEASQKFVDFLVATEQQKVLYDKTNEIPANTEARSYAEGKNDELTTAVIKQFKNTQPLPNISQMSAVWDPAKNMLFDAVSGQKDAKTAANDAVTLIKETIKQKFGE
Consensus [pKd Mean = 8.10]	-	0 (s=0)	0 (s=0)	MSSKFMKSTAVLGTVTLASLLLVACGSKTADKPADSGSSEVKELTVYVDEGYKSYIEEVAKAYEKEAGVKVTLKTGDALGGLDKLSLDNQSGNVPDVMMAPYDRVGSLGSDGQLSEVKLSDGAKTDDTTKSLVTAANGKVYGAPAVIESLVMYYNKDLVKDAPKTFADLENLAKDSKYAFAGEDGKTTAFLADWTNFYYTYGLLAGNGAYVFGQNGKDAKDIGLANDGSIAGINYAKSWYEKWPKGMQDTEGAGNLIQTQFQEGKTAAIIDGPWKAQAFKDAKVNYGVATIPTLPNGKEYAAFGGGKAWVIPQAVKNLEASQKFVDFLVATEQQKVLYDKTNEIPANTEARSYAEGKNDELTTAVIKQFKNTQPLPNISQMSAVWDPAKNMLFDAVSGQKDAKTAANDAVTLIKETIKQKFGE

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ASP	49	OD2	13	1	7[O], 6[C],
ASP	49	CG	11	1	5[O], 6[C],
ASP	49	OD1	11	1	6[C], 5[O],
TYR	52	CD2	3	1	1[C], 2[O],
TYR	52	CZ	8	1	4[C], 4[O],
TYR	52	CE2	6	1	3[O], 3[C],
TYR	52	CD1	7	1	4[O], 3[C],
TYR	52	CG	4	1	2[C], 2[O],
TYR	52	CE1	9	1	4[O], 5[C],
ASP	77	OD1	26	1	13[O], 13[C],
ASP	77	CG	23	1	13[C], 10[O],
ASP	77	OD2	27	1	11[O], 16[C],
LEU	79	CG	62	1	33[C], 29[O],
LEU	79	CD2	56	1	31[C], 25[O],
LEU	79	CD1	69	1	38[C], 31[O],
LEU	82	CG	2	1	2[O],
LEU	82	CD1	7	1	5[O], 2[C],
ASP	83	OD2	21	1	10[O], 11[C],
ASP	83	OD1	25	1	11[O], 14[C],
ASP	83	CG	18	1	8[O], 10[C],
MET	99	CG	5	1	2[C], 3[O],
MET	99	CE	5	1	2[C], 3[O],
MET	99	SD	8	1	4[O], 4[C],
PRO	101	CG	30	1	17[C], 13[O],
PRO	101	CD	25	1	12[O], 13[C],
TYR	102	CG	1	1	1[O],
TYR	102	CD1	1	1	1[O],
ASP	103	OD2	23	1	13[C], 10[O],
ASP	103	CG	19	1	11[C], 8[O],
ASP	103	OD1	21	1	13[C], 8[O],
ARG	104	NE	23	1	10[O], 13[C],
ARG	104	CG	20	1	10[O], 10[C],
ARG	104	CD	19	1	10[C], 9[O],
ARG	104	CZ	21	1	10[O], 11[C],
SER	107	OG	3	1	1[C], 2[O],
LEU	108	CG	1	1	1[O],
VAL	146	CG2	2	1	2[O],
VAL	146	CG1	3	1	3[O],
GLU	148	CG	12	1	5[O], 7[C],
GLU	148	CD	17	1	9[C], 8[O],
GLU	148	OE1	16	1	10[C], 6[O],
GLU	148	OE2	20	1	12[C], 8[O],
LEU	150	CG	6	1	5[C], 1[O],
LEU	150	CD2	9	1	3[O], 6[C],
LEU	150	CD1	3	1	1[C], 2[O],
ASP	193	OD2	10	1	6[C], 4[O],
ASP	193	CG	13	1	7[O], 6[C],
ASP	193	OD1	17	1	8[C], 9[O],
THR	195	OG1	5	1	2[O], 3[C],
ASN	196	CG	28	1	13[O], 15[C],
ASN	196	ND2	30	1	18[C], 12[O],
ASN	196	OD1	42	1	26[C], 16[O],
PHE	197	CD2	4	1	2[C], 2[O],
PHE	197	CG	3	1	1[C], 2[O],
TYR	198	CE1	22	1	12[C], 10[O],
TYR	198	CD1	23	1	11[O], 12[C],
TYR	198	CZ	23	1	13[C], 10[O],
TYR	198	CG	24	1	12[C], 12[O],
TYR	198	CD2	23	1	13[C], 10[O],
TYR	198	CE2	23	1	13[C], 10[O],
TYR	199	CE2	28	1	16[C], 12[O],
TYR	199	CE1	11	1	5[O], 6[C],
TYR	199	CD1	8	1	4[C], 4[O],
TYR	199	CZ	21	1	13[C], 8[O],
TYR	199	CG	10	1	5[C], 5[O],
TYR	199	CD2	20	1	8[O], 12[C],
GLU	251	CG	5	1	3[C], 2[O],
GLU	251	OE2	2	1	1[C], 1[O],
GLU	251	CD	2	1	1[C], 1[O],
GLU	251	OE1	2	1	1[C], 1[O],
ASN	255	CG	1	1	1[O],
ASN	255	ND2	2	1	2[O],
ILE	257	CG1	1	1	1[O],
ILE	257	CD1	6	1	3[C], 3[O],
GLN	258	OE1	2	1	1[C], 1[O],
ASP	271	OD1	4	1	2[C], 2[O],
ASP	271	OD2	11	1	7[C], 4[O],
ASP	271	CG	6	1	2[C], 4[O],
PRO	273	CG	1	1	1[O],
PRO	273	CD	4	1	2[O], 2[C],
TRP	274	CE3	22	1	12[C], 10[O],
TRP	274	CD1	24	1	13[C], 11[O],
TRP	274	CE2	27	1	13[O], 14[C],
TRP	274	CZ2	28	1	13[O], 15[C],
TRP	274	CZ3	22	1	9[O], 13[C],
TRP	274	CG	23	1	11[O], 12[C],
TRP	274	NE1	26	1	14[C], 12[O],
TRP	274	CD2	24	1	12[O], 12[C],
LYS	275	CG	3	1	1[C], 2[O],
LYS	275	CE	5	1	3[O], 2[C],
LYS	275	CD	13	1	5[O], 8[C],
PHE	303	CZ	3	1	1[O], 2[C],
PHE	303	CE2	6	1	4[C], 2[O],
PHE	303	CG	4	1	2[O], 2[C],
PHE	303	CD2	8	1	4[O], 4[C],
LYS	307	NZ	17	1	8[O], 9[C],
LYS	307	CG	20	1	10[C], 10[O],
LYS	307	CE	17	1	9[C], 8[O],
LYS	307	CD	21	1	10[O], 11[C],
GLU	343	OE2	9	1	4[C], 5[O],
GLU	343	CG	4	1	2[O], 2[C],
GLU	343	CD	8	1	4[O], 4[C],
GLU	343	OE1	12	1	6[C], 6[O],
LEU	375	CG	12	1	5[O], 7[C],
LEU	375	CD1	14	1	9[C], 5[O],
LEU	375	CD2	15	1	9[C], 6[O],
MET	381	CG	7	1	4[C], 3[O],
MET	381	CE	8	1	2[O], 6[C],
SER	382	OG	2	1	1[O], 1[C],
TRP	385	CD1	23	1	11[O], 12[C],
TRP	385	CE2	24	1	13[C], 11[O],
TRP	385	CD2	25	1	14[C], 11[O],
TRP	385	NE1	23	1	12[C], 11[O],
TRP	385	CZ2	23	1	9[O], 14[C],
TRP	385	CE3	25	1	15[C], 10[O],
TRP	385	CZ3	24	1	14[C], 10[O],
TRP	385	CG	23	1	12[C], 11[O],
ASP	386	OD2	17	1	9[C], 8[O],
ASP	386	CG	14	1	5[O], 9[C],
ASP	386	OD1	12	1	5[O], 7[C],
PRO	387	CD	1	1	1[O],
LYS	389	CD	15	1	7[O], 8[C],
LYS	389	CG	4	1	3[O], 1[C],
LYS	389	CE	14	1	7[O], 7[C],
LYS	389	NZ	14	1	8[C], 6[O],
PHE	393	CZ	3	1	1[C], 2[O],
PHE	393	CE1	2	1	1[C], 1[O],
Total = 127


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