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: G3H_B_6(1UOD) / Model_23(1UOD/B) = [3.2]	Download	364.59	0.06	MPERKDGNKLKKIMNDPSNIVEEMLEGLVKSYPELVHRVESSRVVAKNQKAEQVGLVSGGGSGHEPSHAGFVGEGMLSAAVLGDVFTSPTPDQIQTAIKEADSGKGVLLIVKNYTGDALNFDMAKELAAMDDIEVESVIVDDDIAVENSTYTAGKRGVAGTVLVHKIVGDAARNGASLAELKELGEKVVQATKTIGLALRAATVPEVGKPGFELGEDEIEYGVGIHGEPGYRREKMQPSKVLAKELVTKILDDYSNLPKEAGVLVNGMGGTPLMEQFVFMNDVLALLEERGVNVVFRKVGNFMTSLDMQGLSLTLIDLTETQWKDSLESNVQTISW
Consensus [pKd Mean = 3.20]	-	364 (s=0)	0 (s=0)	MPERKDGNKLKKIMNDPSNIVEEMLEGLVKSYPELVHRVESSRVVAKNQKAEQVGLVSGGGSGHEPSHAGFVGEGMLSAAVLGDVFTSPTPDQIQTAIKEADSGKGVLLIVKNYTGDALNFDMAKELAAMDDIEVESVIVDDDIAVENSTYTAGKRGVAGTVLVHKIVGDAARNGASLAELKELGEKVVQATKTIGLALRAATVPEVGKPGFELGEDEIEYGVGIHGEPGYRREKMQPSKVLAKELVTKILDDYSNLPKEAGVLVNGMGGTPLMEQFVFMNDVLALLEERGVNVVFRKVGNFMTSLDMQGLSLTLIDLTETQWKDSLESNVQTISW

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
SER	62	OG	1	1	1[O],
HIS	64	CG	6	1	3[O], 3[C],
HIS	64	CE1	6	1	3[O], 3[C],
HIS	64	CD2	6	1	3[O], 3[C],
HIS	64	ND1	6	1	3[O], 3[C],
HIS	64	NE2	9	1	3[C], 1[P], 5[O],
SER	67	OG	1	1	1[O],
HIS	68	CG	1	1	1[O],
HIS	68	CD2	3	1	2[O], 1[C],
HIS	68	CE1	2	1	1[O], 1[C],
HIS	68	NE2	4	1	2[O], 2[C],
HIS	68	ND1	1	1	1[O],
VAL	85	CG1	1	1	1[O],
PHE	86	CD1	7	1	4[O], 3[C],
PHE	86	CD2	6	1	3[O], 3[C],
PHE	86	CE1	5	1	2[O], 3[C],
PHE	86	CG	9	1	5[O], 3[C], 1[P],
PHE	86	CZ	2	1	1[O], 1[C],
PHE	86	CE2	2	1	1[C], 1[O],
THR	87	OG1	8	1	5[O], 1[P], 2[C],
THR	87	CG2	8	1	5[O], 2[C], 1[P],
SER	88	OG	10	1	1[P], 3[C], 6[O],
PRO	89	CG	1	1	1[O],
PRO	89	CD	9	1	3[C], 1[P], 5[O],
LYS	112	NZ	8	1	1[P], 3[C], 4[O],
LYS	112	CG	5	1	3[O], 2[C],
LYS	112	CD	6	1	3[O], 3[C],
LYS	112	CE	8	1	4[O], 1[P], 3[C],
TYR	114	CD2	10	1	6[O], 3[C], 1[P],
TYR	114	CE1	10	1	3[C], 1[P], 6[O],
TYR	114	CD1	10	1	6[O], 3[C], 1[P],
TYR	114	CZ	9	1	1[P], 3[C], 5[O],
TYR	114	CG	10	1	3[C], 1[P], 6[O],
TYR	114	CE2	10	1	6[O], 1[P], 3[C],
THR	115	CG2	4	1	3[O], 1[P],
THR	115	OG1	3	1	2[O], 1[P],
ASP	117	OD2	10	1	3[C], 1[P], 6[O],
ASP	117	OD1	10	1	1[P], 3[C], 6[O],
ASP	117	CG	10	1	6[O], 3[C], 1[P],
ASN	120	ND2	4	1	3[O], 1[P],
ASN	120	CG	2	1	2[O],
PHE	121	CZ	1	1	1[O],
PHE	121	CE1	1	1	1[O],
PHE	121	CD1	1	1	1[O],
TYR	151	CE1	5	1	1[P], 4[O],
TYR	151	CG	7	1	2[C], 1[P], 4[O],
TYR	151	CE2	5	1	1[P], 4[O],
TYR	151	CD2	6	1	1[C], 1[P], 4[O],
TYR	151	CD1	6	1	1[C], 1[P], 4[O],
TYR	151	CZ	3	1	2[O], 1[P],
THR	152	OG1	4	1	1[P], 3[O],
ILE	225	CG2	1	1	1[C],
ILE	225	CG1	6	1	3[C], 3[O],
ILE	225	CD1	8	1	4[O], 1[P], 3[C],
HIS	226	CE1	10	1	6[O], 1[P], 3[C],
HIS	226	NE2	10	1	6[O], 1[P], 3[C],
HIS	226	CG	10	1	6[O], 1[P], 3[C],
HIS	226	CD2	10	1	6[O], 3[C], 1[P],
HIS	226	ND1	10	1	3[C], 1[P], 6[O],
GLU	228	OE2	5	1	3[O], 2[C],
GLU	228	CG	1	1	1[O],
GLU	228	OE1	9	1	5[O], 3[C], 1[P],
GLU	228	CD	6	1	3[C], 1[P], 2[O],
MET	303	SD	2	1	1[C], 1[O],
Total = 64


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