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: AMZ_B_9(4A1O) / Model_21(4A1O/B) = [3.4]	Download	760.71	0.30	MTIKRALISVSDKTGIVEFAQNLAALGVELLSTGGTYKLLKDNNIAVVEVSEHTGFPEMMDGRVKTLHPKIHGGILARRGLDEAVMQEHNIDPIDLVVVNLYPFAATVAKPNCSLADAIENIDIGGPTMVRAAAKNHASVGIVVNASDYDTVISELKASGSLSYETRFDLAVKAFEHTAQYDGMIASYLGARVGKAEGEADLFPRTFNTQLNKAQDLRYGENPHQSAAFYVEANAKEASVSTAKQLQGKELSYNNIADTDAALECVKSFAKPACVIVKHANPCGVAVSLDGIKAAYDLAYATDPESAFGGIIAFNRELDVATAQAIVDRQFVEVIIAPSIADGVLEVTGAKKNVRVLVCGELPAIDARAPQLDYKRVNGGLLVQDQDLGMITKDDLKVVTKRAPTEQEIDDLIFAWKVAKYVKSNAIVYAKNRQTIGVGAGQMSRVNSARIAAIKAEHAGLVVEGAVMASDAFFPFRDGIDNAAKAGIKCIIQPGGSMRDEEVIAAADEAGIAMVFTGMRHFRH
Consensus [pKd Mean = 3.40]	-	760 (s=0)	0 (s=0)	MTIKRALISVSDKTGIVEFAQNLAALGVELLSTGGTYKLLKDNNIAVVEVSEHTGFPEMMDGRVKTLHPKIHGGILARRGLDEAVMQEHNIDPIDLVVVNLYPFAATVAKPNCSLADAIENIDIGGPTMVRAAAKNHASVGIVVNASDYDTVISELKASGSLSYETRFDLAVKAFEHTAQYDGMIASYLGARVGKAEGEADLFPRTFNTQLNKAQDLRYGENPHQSAAFYVEANAKEASVSTAKQLQGKELSYNNIADTDAALECVKSFAKPACVIVKHANPCGVAVSLDGIKAAYDLAYATDPESAFGGIIAFNRELDVATAQAIVDRQFVEVIIAPSIADGVLEVTGAKKNVRVLVCGELPAIDARAPQLDYKRVNGGLLVQDQDLGMITKDDLKVVTKRAPTEQEIDDLIFAWKVAKYVKSNAIVYAKNRQTIGVGAGQMSRVNSARIAAIKAEHAGLVVEGAVMASDAFFPFRDGIDNAAKAGIKCIIQPGGSMRDEEVIAAADEAGIAMVFTGMRHFRH

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ARG	218	NE	3	1	2[O], 1[P],
ARG	218	CZ	4	1	3[O], 1[P],
TYR	219	CZ	5	1	1[P], 4[O],
TYR	219	CD2	1	1	1[O],
TYR	219	CE1	5	1	1[P], 4[O],
TYR	219	CE2	4	1	3[O], 1[P],
TYR	219	CG	1	1	1[O],
TYR	219	CD1	4	1	1[P], 3[O],
GLY	220	C	1	1	1[O],
GLY	220	O	2	1	1[P], 1[O],
GLU	221	O	3	1	1[P], 2[O],
GLU	221	C	1	1	1[O],
GLU	221	CA	1	1	1[O],
ASN	222	CA	1	1	1[O],
ASN	222	N	1	1	1[O],
PRO	223	CG	1	1	1[O],
PRO	223	CD	1	1	1[O],
SER	252	O	1	1	1[O],
SER	252	N	1	1	1[O],
SER	252	C	1	1	1[O],
SER	252	OG	6	1	1[P], 4[O], 1[C],
SER	252	CA	3	1	2[O], 1[P],
SER	252	CB	5	1	1[P], 4[O],
TYR	253	N	2	1	2[O],
ASN	254	ND2	8	1	1[P], 2[C], 5[O],
ASN	254	C	5	1	1[P], 2[C], 2[O],
ASN	254	CG	7	1	2[C], 4[O], 1[P],
ASN	254	O	1	1	1[C],
ASN	254	N	4	1	1[P], 1[C], 2[O],
ASN	254	OD1	2	1	1[O], 1[C],
ASN	254	CB	9	1	1[P], 5[O], 3[C],
ASN	254	CA	6	1	1[P], 2[C], 3[O],
ASN	255	ND2	9	1	1[P], 4[O], 4[C],
ASN	255	CA	2	1	1[O], 1[C],
ASN	255	CG	4	1	2[O], 1[C], 1[P],
ASN	255	CB	1	1	1[O],
ASN	255	OD1	2	1	1[O], 1[P],
ASN	255	N	6	1	1[P], 2[C], 3[O],
ASP	258	OD2	5	1	2[O], 3[C],
ASP	258	CG	3	1	2[C], 1[O],
VAL	277	O	1	1	1[O],
LYS	278	NZ	11	1	2[N], 3[O], 6[C],
LYS	278	CD	6	1	1[N], 3[C], 2[O],
LYS	278	CE	9	1	2[N], 3[O], 4[C],
LYS	278	CA	1	1	1[O],
LYS	278	CG	3	1	1[O], 1[C], 1[N],
HIS	279	CE1	16	1	3[N], 9[C], 4[O],
HIS	279	CD2	7	1	2[O], 3[C], 2[N],
HIS	279	NE2	15	1	3[O], 9[C], 3[N],
HIS	279	CG	5	1	3[C], 1[O], 1[N],
HIS	279	N	1	1	1[O],
HIS	279	ND1	9	1	5[C], 2[O], 2[N],
PHE	308	O	2	1	2[O],
PHE	308	C	1	1	1[O],
GLY	309	C	5	1	2[O], 3[C],
GLY	309	O	7	1	4[C], 3[O],
GLY	309	N	2	1	2[O],
GLY	309	CA	5	1	3[C], 2[O],
GLY	310	C	1	1	1[O],
GLY	310	O	1	1	1[O],
GLY	310	N	2	1	2[O],
GLY	310	CA	1	1	1[O],
ILE	311	N	1	1	1[O],
ILE	311	CD1	2	1	1[C], 1[O],
ILE	311	CG1	2	1	1[C], 1[O],
PHE	331	CZ	2	1	1[C], 1[O],
PHE	331	CE1	1	1	1[O],
PHE	331	CE2	2	1	1[O], 1[C],
PHE	331	CD2	1	1	1[O],
GLU	333	OE1	5	1	3[O], 2[C],
GLU	333	CD	9	1	5[C], 4[O],
GLU	333	OE2	14	1	6[C], 6[O], 1[P], 1[N],
GLU	333	CG	6	1	4[C], 2[O],
GLU	333	CB	4	1	2[C], 2[O],
Total = 74


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