Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C7_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 C7_S1
Complex: TMP_A_4(5F54) / Model_1(5F54/A) = [5.6]	Download	1152.90	7.48	MTKIQIKQRPLLTRPEQFQGVPPFIAEILARRGVQSEQELELKLKNLLAPELKGLDAAVALMDQAIDEQKKIVIVGDYDADGATSTALMMLVLRDMGAQVDYLVPDRFKYGYGLTPAIAELAHHTYQPDLLITVDNGISSHAGVDAAHALGMQVIITDHHLTTKETPLAEAVVNPNQLGCEFPSKALAGVGVAFYVLANLASLRNRQGKSTSKVTQYLDLVALGTYADVAVLDYNNRILVDAGVKRIQQHQCRVGILALLDIAGREATSIRAQDLGFVLGPRINAAGRMESMRIGIECLLADTMETAYPIAQQLNQLNIDRRQIEGEMKQQALSALDSLQLSQQDIPAALVLFEENWHQGVIGIVAGRLKEQFHRPTIVFAPDEDGIHIKGSARSIDGVHIRDTIEQVAEQHPELVSHFGGHAAAAGLTIRKENFEAFKTVFNDCVAAMDESIFQATLWTDGELPVSALQLDTLNWIEQLGPWGQKFPLPQFEGYFKVIDFRWLKETHLKLRLAIDQYSFDAIAFNAAGRFEFDPMRDHVHLVYEIDRNVFNGNVSLQLRIVHLNQ
Consensus [pKd Mean = 5.60]	-	1152 (s=0)	7 (s=0)	MTKIQIKQRPLLTRPEQFQGVPPFIAEILARRGVQSEQELELKLKNLLAPELKGLDAAVALMDQAIDEQKKIVIVGDYDADGATSTALMMLVLRDMGAQVDYLVPDRFKYGYGLTPAIAELAHHTYQPDLLITVDNGISSHAGVDAAHALGMQVIITDHHLTTKETPLAEAVVNPNQLGCEFPSKALAGVGVAFYVLANLASLRNRQGKSTSKVTQYLDLVALGTYADVAVLDYNNRILVDAGVKRIQQHQCRVGILALLDIAGREATSIRAQDLGFVLGPRINAAGRMESMRIGIECLLADTMETAYPIAQQLNQLNIDRRQIEGEMKQQALSALDSLQLSQQDIPAALVLFEENWHQGVIGIVAGRLKEQFHRPTIVFAPDEDGIHIKGSARSIDGVHIRDTIEQVAEQHPELVSHFGGHAAAAGLTIRKENFEAFKTVFNDCVAAMDESIFQATLWTDGELPVSALQLDTLNWIEQLGPWGQKFPLPQFEGYFKVIDFRWLKETHLKLRLAIDQYSFDAIAFNAAGRFEFDPMRDHVHLVYEIDRNVFNGNVSLQLRIVHLNQ

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ASP	77	OD2	3	1	1[O], 2[C],
TYR	78	CZ	1	1	1[O],
TYR	78	CD1	1	1	1[O],
TYR	78	CE1	2	1	1[O], 1[P],
ASP	79	OD2	2	1	1[O], 1[C],
ARG	107	CZ	4	1	1[P], 3[O],
ARG	107	CD	1	1	1[O],
ARG	107	NE	4	1	3[O], 1[P],
GLY	111	CA	1	1	1[C],
GLY	111	C	1	1	1[C],
TYR	112	CA	5	1	1[O], 4[C],
TYR	112	CD2	12	1	2[O], 2[N], 8[C],
TYR	112	CE2	11	1	2[O], 2[N], 7[C],
TYR	112	CD1	11	1	2[N], 2[O], 7[C],
TYR	112	C	4	1	1[O], 3[C],
TYR	112	CZ	10	1	7[C], 1[O], 2[N],
TYR	112	N	5	1	1[O], 4[C],
TYR	112	CB	10	1	2[N], 1[O], 7[C],
TYR	112	CE1	11	1	7[C], 2[N], 2[O],
TYR	112	CG	12	1	8[C], 2[N], 2[O],
TYR	112	O	5	1	3[C], 1[N], 1[O],
HIS	160	CB	1	1	1[O],
HIS	160	CG	5	1	3[C], 2[O],
HIS	160	CD2	9	1	3[O], 1[N], 5[C],
HIS	160	NE2	9	1	5[C], 1[N], 3[O],
HIS	160	CE1	5	1	2[O], 3[C],
HIS	160	ND1	3	1	2[O], 1[C],
ARG	288	CZ	5	1	1[P], 4[O],
ARG	288	NE	3	1	1[P], 2[O],
ARG	288	CD	1	1	1[O],
GLN	359	O	1	1	1[O],
GLY	360	O	1	1	1[O],
ILE	362	CB	1	1	1[O],
ILE	362	O	1	1	1[O],
ILE	362	CG2	1	1	1[O],
ILE	362	C	3	1	1[P], 2[O],
ILE	362	CA	1	1	1[O],
ILE	362	N	1	1	1[O],
GLY	363	CA	5	1	1[P], 4[O],
GLY	363	C	3	1	1[P], 2[O],
GLY	363	N	5	1	1[P], 4[O],
GLY	363	O	1	1	1[O],
ILE	364	CD1	1	1	1[O],
ILE	364	N	1	1	1[O],
GLY	391	C	1	1	1[O],
GLY	391	O	4	1	1[O], 2[C], 1[P],
SER	392	N	1	1	1[O],
SER	392	CA	5	1	3[O], 1[P], 1[C],
SER	392	C	2	1	2[O],
SER	392	OG	7	1	4[O], 1[P], 2[C],
SER	392	CB	6	1	1[C], 1[P], 4[O],
ALA	393	N	3	1	1[C], 2[O],
ALA	393	O	4	1	2[C], 2[O],
ARG	394	CZ	8	1	5[O], 2[C], 1[P],
ARG	394	NE	3	1	2[O], 1[P],
ILE	405	CD1	1	1	1[O],
HIS	418	C	2	1	1[C], 1[O],
HIS	418	O	2	1	1[O], 1[C],
HIS	418	CB	1	1	1[O],
PHE	419	CA	5	1	1[O], 1[N], 3[C],
PHE	419	CB	2	1	1[C], 1[O],
PHE	419	O	5	1	3[C], 1[N], 1[O],
PHE	419	C	7	1	5[C], 1[O], 1[N],
PHE	419	N	3	1	2[C], 1[O],
GLY	420	O	13	1	8[C], 2[N], 3[O],
GLY	420	C	11	1	3[O], 2[N], 6[C],
GLY	420	CA	10	1	2[N], 2[O], 6[C],
GLY	420	N	9	1	2[N], 2[O], 5[C],
GLY	421	C	6	1	2[C], 2[N], 2[O],
GLY	421	O	3	1	1[C], 1[N], 1[O],
GLY	421	CA	12	1	2[N], 3[O], 7[C],
GLY	421	N	10	1	3[O], 2[N], 5[C],
HIS	422	CD2	1	1	1[O],
HIS	422	N	4	1	2[C], 2[O],
HIS	422	NE2	6	1	2[O], 4[C],
HIS	422	CG	1	1	1[O],
HIS	422	CE1	9	1	5[C], 3[O], 1[N],
HIS	422	ND1	9	1	5[C], 1[N], 3[O],
ALA	425	C	8	1	4[C], 1[N], 3[O],
ALA	425	CB	7	1	3[O], 4[C],
ALA	425	O	6	1	2[C], 3[O], 1[N],
ALA	425	CA	3	1	2[O], 1[C],
ALA	426	CB	6	1	1[O], 1[N], 4[C],
ALA	426	C	17	1	10[C], 1[P], 4[O], 2[N],
ALA	426	O	14	1	1[N], 4[O], 1[P], 8[C],
ALA	426	N	10	1	6[C], 3[O], 1[N],
ALA	426	CA	14	1	8[C], 2[N], 4[O],
GLY	427	CA	14	1	4[O], 2[N], 8[C],
GLY	427	C	10	1	2[O], 2[N], 6[C],
GLY	427	O	9	1	2[O], 2[N], 5[C],
GLY	427	N	17	1	10[C], 2[N], 5[O],
LEU	428	O	1	1	1[C],
LEU	428	CA	3	1	2[C], 1[O],
LEU	428	CB	1	1	1[C],
LEU	428	N	5	1	4[C], 1[O],
LEU	428	C	1	1	1[C],
Total = 96


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