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: GLN_A_2(4ZEF) / Model_109(4ZEF/A) = [5.1]	Download	4173.79	21.93	MKRKHLFHSFVFLMTGLVTLAFGHVAQADNTTTAESSTSETMQKIEPKKDVYVIASDSAFAPFEFQNAKGEYEGIDVKLMENIAKLQGFNIRMDYRGFSAALQALESGQADGMIAGMTVTDERKKSYDFSDSYFDSGIQLAVKKGDTSIKSYEDLKGKTVGAKVGTESAEFLSDHESEYGYSIKYFDAADQLYDGLKVGAIDAMMDDYPVIGYAIKQGQELETPIKKESGGKYAFAVKKGQNPELLNMFNEGLKELKRTGEYDKIIKEYVADGSETSSESSTADESTFLGLIQNNYQALLKGLWRTILLTLISFALAIVIGVIFGLFSVAPIRALRTIASIYVDIIRGIPMMVLAFFIFFGLPGIVGFTIPDFLAGVITLTLNASAYIAEIVRGGINAVPVGQMEASRSLGLSYNRTMQKIILPQAIRIMIPSFVNQFVISLKDTTIISAIGVVELLQTGKIIVARTTQSTYVYLIIAIMYLILITALTKLAKVLEKKVK
Consensus [pKd Mean = 5.10]	-	4173 (s=0)	21 (s=0)	MKRKHLFHSFVFLMTGLVTLAFGHVAQADNTTTAESSTSETMQKIEPKKDVYVIASDSAFAPFEFQNAKGEYEGIDVKLMENIAKLQGFNIRMDYRGFSAALQALESGQADGMIAGMTVTDERKKSYDFSDSYFDSGIQLAVKKGDTSIKSYEDLKGKTVGAKVGTESAEFLSDHESEYGYSIKYFDAADQLYDGLKVGAIDAMMDDYPVIGYAIKQGQELETPIKKESGGKYAFAVKKGQNPELLNMFNEGLKELKRTGEYDKIIKEYVADGSETSSESSTADESTFLGLIQNNYQALLKGLWRTILLTLISFALAIVIGVIFGLFSVAPIRALRTIASIYVDIIRGIPMMVLAFFIFFGLPGIVGFTIPDFLAGVITLTLNASAYIAEIVRGGINAVPVGQMEASRSLGLSYNRTMQKIILPQAIRIMIPSFVNQFVISLKDTTIISAIGVVELLQTGKIIVARTTQSTYVYLIIAIMYLILITALTKLAKVLEKKVK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
SER	56	OG	1	1	1[N],
ASP	57	CG	5	1	1[O], 3[C], 1[N],
ASP	57	OD2	6	1	1[N], 4[C], 1[O],
ASP	57	OD1	4	1	1[N], 1[O], 2[C],
PHE	60	CZ	10	1	5[C], 3[O], 2[N],
PHE	60	CD1	7	1	4[C], 1[O], 2[N],
PHE	60	CG	7	1	2[N], 1[O], 4[C],
PHE	60	CE1	10	1	3[O], 5[C], 2[N],
PHE	60	CD2	9	1	2[N], 5[C], 2[O],
PHE	60	CE2	10	1	5[C], 3[O], 2[N],
PHE	63	CD2	4	1	2[N], 2[C],
PHE	63	CE2	1	1	1[N],
PHE	63	CG	1	1	1[N],
GLU	64	CD	2	1	1[N], 1[C],
GLU	64	OE1	1	1	1[N],
GLU	64	CG	1	1	1[N],
GLU	64	OE2	4	1	1[N], 2[C], 1[O],
ASP	76	OD2	1	1	1[N],
PHE	98	CD2	10	1	2[N], 5[C], 3[O],
PHE	98	CE1	10	1	2[N], 3[O], 5[C],
PHE	98	CG	10	1	5[C], 3[O], 2[N],
PHE	98	CZ	10	1	5[C], 3[O], 2[N],
PHE	98	CD1	10	1	3[O], 5[C], 2[N],
PHE	98	CE2	10	1	2[N], 3[O], 5[C],
LEU	102	CG	2	1	2[O],
LEU	102	CD2	3	1	2[O], 1[C],
LEU	102	CD1	4	1	2[C], 2[O],
MET	113	CE	4	1	1[N], 2[C], 1[O],
MET	117	CG	9	1	2[N], 5[C], 2[O],
MET	117	CE	3	1	1[C], 2[O],
MET	117	SD	4	1	2[O], 2[C],
THR	118	CG2	6	1	2[O], 3[C], 1[N],
THR	118	OG1	10	1	2[N], 5[C], 3[O],
THR	120	OG1	1	1	1[O],
THR	120	CG2	3	1	1[C], 2[O],
ARG	123	NE	7	1	2[O], 4[C], 1[N],
ARG	123	CZ	8	1	5[C], 2[O], 1[N],
ARG	123	CG	3	1	2[O], 1[C],
ARG	123	CD	4	1	2[O], 2[C],
PHE	129	CZ	1	1	1[O],
PHE	129	CE1	1	1	1[O],
SER	136	OG	3	1	2[C], 1[N],
ILE	138	CG2	7	1	1[N], 4[C], 2[O],
LYS	163	CE	7	1	2[O], 4[C], 1[N],
LYS	163	CD	8	1	1[N], 5[C], 2[O],
LYS	163	CG	6	1	2[O], 3[C], 1[N],
LYS	163	NZ	9	1	2[N], 5[C], 2[O],
THR	166	CG2	10	1	5[C], 3[O], 2[N],
THR	166	OG1	10	1	3[O], 5[C], 2[N],
GLU	167	CD	7	1	1[N], 4[C], 2[O],
GLU	167	CG	8	1	5[C], 2[O], 1[N],
GLU	167	OE1	6	1	1[N], 3[C], 2[O],
GLU	167	OE2	7	1	1[N], 2[O], 4[C],
SER	168	OG	8	1	5[C], 2[O], 1[N],
GLU	170	CG	1	1	1[O],
GLU	170	CD	2	1	1[O], 1[C],
GLU	170	OE2	2	1	1[O], 1[C],
GLU	170	OE1	2	1	1[C], 1[O],
LEU	192	CD1	1	1	1[O],
ASP	206	OD2	5	1	1[O], 3[C], 1[N],
ASP	206	OD1	9	1	2[N], 2[O], 5[C],
ASP	206	CG	7	1	2[N], 1[O], 4[C],
ASP	207	OD1	10	1	5[C], 3[O], 2[N],
ASP	207	CG	10	1	2[N], 3[O], 5[C],
ASP	207	OD2	10	1	2[N], 5[C], 3[O],
PRO	209	CD	1	1	1[N],
VAL	210	CG1	3	1	1[N], 1[O], 1[C],
VAL	210	CG2	6	1	2[N], 1[O], 3[C],
TYR	233	CG	6	1	1[N], 4[C], 1[O],
TYR	233	CZ	10	1	2[N], 5[C], 3[O],
TYR	233	CE1	10	1	2[N], 5[C], 3[O],
TYR	233	CD1	9	1	2[N], 2[O], 5[C],
TYR	233	CD2	5	1	3[C], 1[O], 1[N],
TYR	233	CE2	8	1	1[O], 5[C], 2[N],
Total = 74


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