Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C3_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 C3_S1
Complex: GOB_A_4(3TWD) / Model_53(3TWD/A) = [4.2]	Download	1256.33	13.59	MSTTVIILAAGKGTRMRSQLPKVLQPLAGRPLLGHVIKTAKQLLAENIITIYGHGGDHVKKTFAQENIQWVEQAEQLGTGHAVQMTLPVLPKDGISLILYGDVPLARQTTLEQLIEASNKTGIGMITLHVDNPTGYGRIVRQDGKIQAIVEHKDATEAQRQIQEINTGIYCVSNAKLHEWLPKLSNENAQGEYYLTDIVAMAVADGLEIASIQPELAFEVEGVNDRLQLAALEREFQKQQAKELMQQGVTFADPARFDLRGTVKVGHDVRIDVNVIIEGDCELGDFVEIGAGCILKNTTIAAGTKVQAYSVFDGAVVGENTQIGPFARLRPGAKLANEVHIGNFVEVKNTTIGLGSKANHFTYLGDAEIGAESNIGAGTITCNYDGANKHKTTIGDAVFIGSNSSLVAPVTIGNGATVGAGSVITKDVAEQSLSFERAQQISKANYQRPQKLKK
Consensus [pKd Mean = 4.20]	-	1256 (s=0)	13 (s=0)	MSTTVIILAAGKGTRMRSQLPKVLQPLAGRPLLGHVIKTAKQLLAENIITIYGHGGDHVKKTFAQENIQWVEQAEQLGTGHAVQMTLPVLPKDGISLILYGDVPLARQTTLEQLIEASNKTGIGMITLHVDNPTGYGRIVRQDGKIQAIVEHKDATEAQRQIQEINTGIYCVSNAKLHEWLPKLSNENAQGEYYLTDIVAMAVADGLEIASIQPELAFEVEGVNDRLQLAALEREFQKQQAKELMQQGVTFADPARFDLRGTVKVGHDVRIDVNVIIEGDCELGDFVEIGAGCILKNTTIAAGTKVQAYSVFDGAVVGENTQIGPFARLRPGAKLANEVHIGNFVEVKNTTIGLGSKANHFTYLGDAEIGAESNIGAGTITCNYDGANKHKTTIGDAVFIGSNSSLVAPVTIGNGATVGAGSVITKDVAEQSLSFERAQQISKANYQRPQKLKK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LYS	357	CG	1	1	1[O],
LYS	357	O	3	1	1[C], 2[O],
LYS	357	C	1	1	1[O],
LYS	357	NZ	1	1	1[O],
LYS	357	CB	1	1	1[O],
LYS	357	CD	1	1	1[O],
ALA	358	C	1	1	1[O],
ALA	358	CA	1	1	1[O],
ASN	359	C	2	1	2[O],
ASN	359	OD1	1	1	1[O],
ASN	359	ND2	4	1	2[O], 2[C],
ASN	359	N	3	1	1[C], 2[O],
ASN	359	CG	3	1	2[O], 1[C],
ASN	359	CA	3	1	1[C], 2[O],
ASN	359	CB	3	1	1[C], 2[O],
HIS	360	C	1	1	1[O],
HIS	360	ND1	3	1	1[C], 2[O],
HIS	360	CA	1	1	1[O],
HIS	360	CB	3	1	2[O], 1[C],
HIS	360	CG	4	1	2[C], 2[O],
HIS	360	N	3	1	1[C], 2[O],
HIS	360	NE2	5	1	2[O], 3[C],
HIS	360	CD2	5	1	3[C], 2[O],
HIS	360	CE1	4	1	2[C], 2[O],
HIS	360	O	2	1	1[O], 1[C],
THR	362	OG1	1	1	1[O],
ASN	374	ND2	10	1	6[C], 3[O], 1[N],
ASN	374	C	5	1	3[C], 2[O],
ASN	374	CB	6	1	2[O], 4[C],
ASN	374	CG	8	1	4[C], 3[O], 1[N],
ASN	374	O	7	1	3[O], 4[C],
ASN	374	OD1	6	1	2[O], 4[C],
ASN	374	N	1	1	1[O],
ASN	374	CA	4	1	2[O], 2[C],
ILE	375	CA	4	1	2[O], 2[C],
ILE	375	C	7	1	3[O], 4[C],
ILE	375	CB	4	1	2[C], 2[O],
ILE	375	CG2	3	1	2[O], 1[C],
ILE	375	O	5	1	3[C], 2[O],
ILE	375	N	4	1	2[O], 2[C],
GLY	376	CA	8	1	1[N], 3[O], 4[C],
GLY	376	O	7	1	4[C], 3[O],
GLY	376	C	8	1	1[N], 3[O], 4[C],
GLY	376	N	8	1	1[N], 3[O], 4[C],
ALA	377	O	7	1	4[C], 3[O],
ALA	377	C	7	1	3[O], 4[C],
ALA	377	CB	7	1	4[C], 3[O],
ALA	377	CA	7	1	4[C], 3[O],
ALA	377	N	8	1	4[C], 3[O], 1[N],
GLY	378	N	3	1	1[O], 2[C],
GLY	378	CA	1	1	1[O],
THR	379	OG1	5	1	3[O], 2[C],
THR	379	N	1	1	1[O],
PHE	399	CE1	25	1	17[C], 5[O], 2[N], 1[S],
PHE	399	CB	14	1	10[C], 3[O], 1[N],
PHE	399	O	7	1	2[O], 5[C],
PHE	399	N	2	1	2[C],
PHE	399	CA	6	1	4[C], 2[O],
PHE	399	CD1	20	1	1[N], 5[O], 14[C],
PHE	399	CZ	27	1	1[S], 17[C], 7[O], 2[N],
PHE	399	CD2	27	1	1[S], 18[C], 6[O], 2[N],
PHE	399	CG	21	1	1[S], 4[O], 14[C], 2[N],
PHE	399	C	9	1	6[C], 3[O],
PHE	399	CE2	29	1	2[N], 7[O], 19[C], 1[S],
ILE	400	C	13	1	1[N], 4[O], 8[C],
ILE	400	CG2	2	1	1[C], 1[O],
ILE	400	N	8	1	2[O], 6[C],
ILE	400	O	13	1	8[C], 4[O], 1[N],
ILE	400	CA	10	1	4[O], 6[C],
ILE	400	CB	4	1	2[O], 2[C],
GLY	401	C	17	1	1[S], 5[O], 10[C], 1[N],
GLY	401	CA	23	1	6[O], 14[C], 2[N], 1[S],
GLY	401	N	19	1	11[C], 5[O], 2[N], 1[S],
GLY	401	O	12	1	1[S], 4[O], 6[C], 1[N],
SER	402	OG	16	1	9[C], 5[O], 1[N], 1[S],
SER	402	N	18	1	1[S], 1[N], 6[O], 10[C],
SER	402	O	12	1	1[S], 3[O], 7[C], 1[N],
SER	402	CB	14	1	1[N], 8[C], 5[O],
SER	402	C	11	1	6[C], 4[O], 1[N],
SER	402	CA	12	1	1[N], 4[O], 7[C],
ASN	403	CB	1	1	1[O],
ASN	403	CA	1	1	1[O],
ASN	403	N	6	1	4[C], 2[O],
SER	404	N	1	1	1[O],
ALA	416	O	1	1	1[C],
THR	417	C	9	1	1[N], 7[C], 1[O],
THR	417	CA	7	1	1[O], 5[C], 1[N],
THR	417	CG2	21	1	3[O], 16[C], 1[N], 1[S],
THR	417	OG1	10	1	1[O], 8[C], 1[N],
THR	417	N	2	1	2[C],
THR	417	CB	12	1	1[N], 9[C], 1[O], 1[S],
THR	417	O	8	1	1[O], 6[C], 1[N],
VAL	418	N	8	1	1[N], 5[C], 1[O], 1[S],
VAL	418	CG1	1	1	1[O],
VAL	418	CB	2	1	1[C], 1[O],
VAL	418	O	22	1	16[C], 3[O], 2[N], 1[S],
VAL	418	CA	9	1	1[S], 1[O], 6[C], 1[N],
VAL	418	C	16	1	1[S], 3[O], 11[C], 1[N],
GLY	419	CA	25	1	3[N], 4[O], 17[C], 1[S],
GLY	419	O	13	1	1[N], 3[O], 8[C], 1[S],
GLY	419	N	18	1	1[N], 3[O], 13[C], 1[S],
GLY	419	C	22	1	1[S], 4[O], 15[C], 2[N],
ALA	420	CA	23	1	16[C], 4[O], 2[N], 1[S],
ALA	420	O	11	1	6[C], 3[O], 1[N], 1[S],
ALA	420	N	27	1	1[S], 4[O], 20[C], 2[N],
ALA	420	CB	25	1	1[S], 16[C], 6[O], 2[N],
ALA	420	C	12	1	2[N], 3[O], 6[C], 1[S],
GLY	421	N	7	1	1[S], 3[C], 3[O],
GLY	421	CA	1	1	1[O],
SER	422	N	1	1	1[O],
SER	422	CB	1	1	1[O],
LEU	433	CG	14	1	1[S], 2[N], 10[C], 1[O],
LEU	433	O	1	1	1[C],
LEU	433	CA	2	1	2[C],
LEU	433	C	2	1	2[C],
LEU	433	CD2	14	1	1[S], 2[N], 9[C], 2[O],
LEU	433	CD1	18	1	1[S], 2[N], 13[C], 2[O],
LEU	433	CB	9	1	2[N], 7[C],
SER	434	C	2	1	2[C],
SER	434	CA	1	1	1[C],
SER	434	O	8	1	1[S], 1[N], 5[C], 1[O],
SER	434	N	2	1	2[C],
PHE	435	C	1	1	1[C],
PHE	435	CA	4	1	3[C], 1[N],
PHE	435	CZ	2	1	1[N], 1[C],
PHE	435	CD2	4	1	3[C], 1[N],
PHE	435	CE2	3	1	1[N], 2[C],
PHE	435	N	2	1	2[C],
PHE	435	CD1	4	1	3[C], 1[N],
PHE	435	CB	7	1	5[C], 1[O], 1[N],
PHE	435	CE1	2	1	1[N], 1[C],
PHE	435	CG	4	1	3[C], 1[N],
ARG	437	CG	4	1	1[N], 2[C], 1[O],
ARG	437	CZ	19	1	2[N], 3[O], 13[C], 1[S],
ARG	437	CB	4	1	1[N], 2[C], 1[O],
ARG	437	CD	11	1	1[S], 2[N], 6[C], 2[O],
ARG	437	NE	13	1	2[N], 3[O], 7[C], 1[S],
Total = 137


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