Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
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: ADP_A_7(2Z4R) / Model_1(2Z4R/A) = [7.3]	Download	619.99	11.23	MKEKQFWNRILEFAQERLTRSMYDFYAIQAELIKVEENVATIFLPRSEMEMVWEKQLKDIIVVAGFEIYDAEITPHYIFTKPQDTTSSQVEEATNLTLYDYSPKLVSIPYSDTGLKEKYTFDNFIQGDGNVWAVSAALAVSEDLALTYNPLFIYGGPGLGKTHLLNAIGNEILKNIPNARVKYIPAESFINDFLDHLRLGEMEKFKKTYRSLDLLLIDDIQSLSGKKVATQEEFFNTFNALHDKQKQIVLTSDRSPKHLEGLEERLVTRFSWGLTQTITPPDFETRIAILQSKTEHLGYNFQSDTLEYLAGQFDSNVRDLEGAINDITLIARVKKIKDITIDIAAEAIRARKQDVSQMLVIPIDKIQTEVGNFYGVSIKEMKGSRRLQNIVLARQVAMYLSRELTDNSLPKIGKEFGGKDHTTVIHAHAKIKSLIDQDDNLRLEIESIKKKIK
Consensus [pKd Mean = 7.30]	-	619 (s=0)	11 (s=0)	MKEKQFWNRILEFAQERLTRSMYDFYAIQAELIKVEENVATIFLPRSEMEMVWEKQLKDIIVVAGFEIYDAEITPHYIFTKPQDTTSSQVEEATNLTLYDYSPKLVSIPYSDTGLKEKYTFDNFIQGDGNVWAVSAALAVSEDLALTYNPLFIYGGPGLGKTHLLNAIGNEILKNIPNARVKYIPAESFINDFLDHLRLGEMEKFKKTYRSLDLLLIDDIQSLSGKKVATQEEFFNTFNALHDKQKQIVLTSDRSPKHLEGLEERLVTRFSWGLTQTITPPDFETRIAILQSKTEHLGYNFQSDTLEYLAGQFDSNVRDLEGAINDITLIARVKKIKDITIDIAAEAIRARKQDVSQMLVIPIDKIQTEVGNFYGVSIKEMKGSRRLQNIVLARQVAMYLSRELTDNSLPKIGKEFGGKDHTTVIHAHAKIKSLIDQDDNLRLEIESIKKKIK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
LYS	116	CG	1	1	1[O],
LYS	118	CD	12	1	2[N], 3[O], 7[C],
LYS	118	CE	17	1	4[O], 9[C], 4[N],
LYS	118	CG	12	1	7[C], 3[O], 2[N],
LYS	118	NZ	15	1	9[C], 4[O], 2[N],
TYR	119	CZ	17	1	8[O], 6[C], 2[P], 1[N],
TYR	119	CD2	17	1	1[P], 7[C], 6[O], 3[N],
TYR	119	CE2	19	1	3[N], 1[P], 8[O], 7[C],
TYR	119	CE1	14	1	8[O], 5[C], 1[P],
TYR	119	CG	13	1	1[N], 1[P], 6[O], 5[C],
TYR	119	CD1	10	1	4[C], 5[O], 1[P],
ASN	123	CG	4	1	1[N], 1[O], 2[C],
ASN	123	ND2	2	1	1[O], 1[C],
ASN	123	OD1	1	1	1[C],
PHE	124	CD1	18	1	5[N], 10[C], 3[O],
PHE	124	CE1	21	1	5[N], 10[C], 5[O], 1[P],
PHE	124	CE2	10	1	5[C], 5[N],
PHE	124	CZ	12	1	5[N], 6[C], 1[O],
PHE	124	CG	12	1	5[N], 7[C],
PHE	124	CD2	10	1	5[N], 5[C],
ILE	125	CG1	9	1	4[C], 5[N],
ILE	125	CG2	7	1	3[N], 4[C],
ILE	125	CD1	7	1	3[N], 4[C],
GLN	126	CG	3	1	2[N], 1[C],
ASN	130	CG	8	1	3[N], 5[C],
ASN	130	OD1	10	1	5[C], 5[N],
ASN	130	ND2	5	1	3[N], 2[C],
VAL	134	CG2	5	1	3[N], 2[C],
VAL	134	CG1	1	1	1[N],
ILE	153	CG2	1	1	1[O],
PRO	157	CG	5	1	4[O], 1[P],
PRO	157	CD	4	1	3[O], 1[P],
LEU	159	CD2	6	1	1[N], 1[P], 1[C], 3[O],
LEU	159	CD1	4	1	3[O], 1[P],
LEU	159	CG	10	1	2[P], 6[O], 1[C], 1[N],
LYS	161	CD	8	1	2[P], 6[O],
LYS	161	NZ	9	1	7[O], 2[P],
LYS	161	CE	8	1	2[P], 6[O],
LYS	161	CG	9	1	2[P], 7[O],
THR	162	CG2	12	1	2[P], 3[C], 7[O],
THR	162	OG1	12	1	3[C], 7[O], 2[P],
HIS	163	NE2	20	1	10[C], 5[O], 5[N],
HIS	163	CD2	22	1	1[P], 6[O], 10[C], 5[N],
HIS	163	CE1	22	1	5[N], 6[O], 10[C], 1[P],
HIS	163	CG	24	1	10[C], 8[O], 1[P], 5[N],
HIS	163	ND1	23	1	1[P], 10[C], 7[O], 5[N],
LEU	164	CD1	7	1	3[N], 3[C], 1[O],
LEU	164	CD2	6	1	2[C], 2[O], 2[N],
LEU	164	CG	5	1	1[O], 2[C], 2[N],
ASN	166	ND2	3	1	2[O], 1[P],
ASP	218	CG	5	1	4[O], 1[P],
ASP	218	OD2	7	1	2[P], 5[O],
ASP	218	OD1	8	1	2[P], 6[O],
ASP	219	CG	5	1	1[P], 4[O],
ASP	219	OD2	6	1	5[O], 1[P],
ASP	219	OD1	6	1	1[P], 5[O],
GLN	221	NE2	1	1	1[O],
THR	251	CG2	2	1	2[O],
THR	251	OG1	3	1	1[P], 2[O],
ILE	278	CG1	2	1	1[N], 1[O],
ILE	278	CG2	8	1	1[P], 3[O], 2[C], 2[N],
ILE	278	CD1	9	1	4[O], 1[C], 2[P], 2[N],
PRO	281	CG	7	1	3[N], 4[C],
PRO	281	CD	5	1	2[N], 3[C],
THR	285	CG2	5	1	2[N], 3[C],
ILE	289	CG2	16	1	9[C], 2[O], 5[N],
ILE	289	CD1	13	1	1[O], 7[C], 5[N],
ILE	289	CG1	14	1	2[O], 7[C], 5[N],
SER	292	OG	12	1	6[C], 1[O], 5[N],
LYS	293	NZ	12	1	2[N], 3[O], 7[C],
LYS	293	CD	11	1	2[N], 3[O], 6[C],
LYS	293	CE	16	1	9[C], 3[O], 4[N],
LYS	293	CG	11	1	6[C], 3[O], 2[N],
HIS	296	NE2	4	1	2[O], 2[C],
HIS	296	CG	4	1	2[C], 2[O],
HIS	296	CE1	4	1	2[C], 2[O],
HIS	296	ND1	4	1	2[C], 2[O],
HIS	296	CD2	4	1	2[O], 2[C],
LEU	297	CD1	1	1	1[O],
LEU	297	CD2	2	1	2[O],
LEU	297	CG	1	1	1[O],
ASN	316	ND2	9	1	2[C], 5[O], 2[P],
ASN	316	CG	4	1	3[O], 1[P],
ASN	316	OD1	2	1	2[O],
VAL	317	CG2	27	1	5[N], 10[C], 10[O], 2[P],
VAL	317	CG1	21	1	5[N], 10[C], 5[O], 1[P],
ARG	318	CD	10	1	2[P], 6[O], 2[C],
ARG	318	CG	12	1	3[C], 7[O], 2[P],
ARG	318	NE	12	1	2[P], 8[O], 2[C],
ARG	318	CZ	15	1	2[P], 9[O], 4[C],
LEU	320	CD1	6	1	2[N], 1[O], 3[C],
LEU	320	CG	1	1	1[O],
GLU	321	OE1	15	1	5[O], 7[C], 1[P], 2[N],
GLU	321	OE2	10	1	5[C], 4[O], 1[N],
GLU	321	CD	13	1	7[C], 4[O], 2[N],
GLU	321	CG	10	1	1[N], 4[O], 5[C],
ILE	327	CD1	1	1	1[O],
Total = 97


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