Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
Binding Site Number :C1_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 C1_S1
Complex: TMP_A_4(1J54) / Model_53(1J54/A) = [3.8]	Download	933.84	10.58	MSQTITLYVDGACRGNPGLGGWGAYVITEQGEHKLFGGEPDTTNNRMELTAAIEGISFCPPDAQLIVWTDSNYVKQGITEWIHGWKKKNWKDVKNPDLWQKLDAVCAGRNIEWNWIKGHAGHAGNEMADQLANLGADKTAQELKQPQSATVSQDIKKPEQDWLLDDPFGFDLVETTEDETITLEQTQEVEMIVVDEEMNVVEAVEQEEQQQNTNIHPQIVMTEAKLKLQGPRQLILDTETTGFYFQDGDRIIEVGAIEMINRKLTGSSIHIYINPEKPVGDSVQVHGITDEFLVDKPKYAEIADTLFEYLKGAEIIAHNATFDMNFLDMEFKRVGLPALSEVCEVTDTLALAKNKHPGQKNSLDALVRRYEIPARDRTFHGALLDAEILSDVYLAMTGGQVSFDMDALSQSESDQQKTTKARVQIELPVIYPSDEELNIHETWVKEFEKKHGEPCLFAK
Consensus [pKd Mean = 3.80]	-	933 (s=0)	10 (s=0)	MSQTITLYVDGACRGNPGLGGWGAYVITEQGEHKLFGGEPDTTNNRMELTAAIEGISFCPPDAQLIVWTDSNYVKQGITEWIHGWKKKNWKDVKNPDLWQKLDAVCAGRNIEWNWIKGHAGHAGNEMADQLANLGADKTAQELKQPQSATVSQDIKKPEQDWLLDDPFGFDLVETTEDETITLEQTQEVEMIVVDEEMNVVEAVEQEEQQQNTNIHPQIVMTEAKLKLQGPRQLILDTETTGFYFQDGDRIIEVGAIEMINRKLTGSSIHIYINPEKPVGDSVQVHGITDEFLVDKPKYAEIADTLFEYLKGAEIIAHNATFDMNFLDMEFKRVGLPALSEVCEVTDTLALAKNKHPGQKNSLDALVRRYEIPARDRTFHGALLDAEILSDVYLAMTGGQVSFDMDALSQSESDQQKTTKARVQIELPVIYPSDEELNIHETWVKEFEKKHGEPCLFAK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ASP	237	C	1	1	1[O],
ASP	237	OD1	6	1	1[C], 4[O], 1[P],
ASP	237	CA	1	1	1[O],
ASP	237	CG	6	1	1[C], 1[P], 4[O],
ASP	237	OD2	6	1	4[O], 1[P], 1[C],
ASP	237	CB	1	1	1[O],
THR	238	O	9	1	3[C], 1[P], 5[O],
THR	238	OG1	2	1	2[C],
THR	238	CA	1	1	1[O],
THR	238	C	7	1	1[P], 3[O], 3[C],
THR	238	N	1	1	1[O],
GLU	239	OE1	12	1	1[P], 6[O], 5[C],
GLU	239	CG	7	1	3[C], 3[O], 1[P],
GLU	239	OE2	9	1	3[C], 1[P], 5[O],
GLU	239	O	3	1	2[C], 1[O],
GLU	239	CD	9	1	1[P], 5[O], 3[C],
GLU	239	CB	5	1	1[O], 4[C],
GLU	239	C	6	1	4[C], 2[O],
GLU	239	CA	8	1	4[C], 4[O],
GLU	239	N	5	1	3[C], 2[O],
THR	240	N	7	1	2[O], 5[C],
THR	240	CA	7	1	2[O], 5[C],
THR	240	CG2	7	1	5[C], 2[O],
THR	240	O	6	1	4[C], 2[O],
THR	240	C	5	1	1[O], 4[C],
THR	240	OG1	10	1	1[N], 3[O], 6[C],
THR	240	CB	6	1	2[O], 4[C],
THR	241	C	3	1	1[C], 2[O],
THR	241	O	2	1	1[C], 1[O],
THR	241	N	3	1	2[C], 1[O],
THR	241	CA	2	1	1[O], 1[C],
GLY	242	CA	8	1	4[C], 3[O], 1[N],
GLY	242	N	6	1	2[O], 4[C],
GLY	242	C	7	1	4[C], 2[O], 1[N],
GLY	242	O	8	1	1[N], 2[O], 5[C],
PHE	243	CD1	15	1	2[N], 4[O], 9[C],
PHE	243	CA	3	1	1[O], 2[C],
PHE	243	CE2	6	1	1[N], 1[O], 4[C],
PHE	243	O	1	1	1[O],
PHE	243	CD2	6	1	3[C], 2[O], 1[N],
PHE	243	C	1	1	1[O],
PHE	243	N	5	1	1[O], 1[N], 3[C],
PHE	243	CB	6	1	1[N], 2[O], 3[C],
PHE	243	CZ	12	1	7[C], 4[O], 1[N],
PHE	243	CE1	14	1	2[N], 4[O], 8[C],
PHE	243	CG	10	1	6[C], 2[O], 2[N],
ILE	252	CD1	1	1	1[O],
ILE	252	CG1	1	1	1[O],
SER	282	CA	3	1	1[C], 1[O], 1[N],
SER	282	CB	5	1	2[C], 2[O], 1[N],
SER	282	OG	2	1	1[N], 1[O],
SER	282	O	7	1	2[O], 2[N], 3[C],
SER	282	C	6	1	2[N], 2[O], 2[C],
VAL	283	CA	10	1	2[N], 2[O], 6[C],
VAL	283	CG2	11	1	2[N], 3[O], 6[C],
VAL	283	CB	8	1	4[C], 2[O], 2[N],
VAL	283	C	5	1	3[C], 2[O],
VAL	283	O	3	1	2[C], 1[O],
VAL	283	CG1	9	1	5[C], 3[O], 1[N],
VAL	283	N	6	1	1[O], 2[N], 3[C],
VAL	285	CG1	19	1	10[C], 6[O], 2[N], 1[P],
VAL	285	C	1	1	1[O],
VAL	285	CB	16	1	10[C], 4[O], 2[N],
VAL	285	O	1	1	1[O],
VAL	285	CG2	12	1	8[C], 2[N], 2[O],
VAL	285	CA	2	1	2[C],
HIS	286	CE1	4	1	1[O], 3[C],
HIS	286	CD2	1	1	1[O],
HIS	286	N	1	1	1[O],
HIS	286	CG	3	1	1[O], 2[C],
HIS	286	NE2	3	1	1[O], 2[C],
HIS	286	CB	3	1	1[C], 2[O],
HIS	286	ND1	5	1	4[C], 1[O],
PHE	322	CD2	5	1	3[C], 2[O],
PHE	322	CG	1	1	1[O],
PHE	322	CE1	5	1	1[N], 1[O], 3[C],
PHE	322	CZ	10	1	1[N], 3[O], 6[C],
PHE	322	CE2	9	1	5[C], 4[O],
PHE	322	CD1	2	1	1[C], 1[O],
ASP	323	OD2	1	1	1[O],
ARG	377	NE	1	1	1[O],
ARG	377	CZ	3	1	2[O], 1[P],
HIS	380	N	1	1	1[O],
HIS	380	CD2	3	1	2[O], 1[P],
HIS	380	CB	6	1	1[C], 1[P], 4[O],
HIS	380	ND1	7	1	1[P], 4[O], 2[C],
HIS	380	C	1	1	1[O],
HIS	380	NE2	3	1	2[O], 1[P],
HIS	380	O	1	1	1[O],
HIS	380	CE1	6	1	1[C], 4[O], 1[P],
HIS	380	CG	5	1	4[O], 1[P],
HIS	380	CA	1	1	1[O],
GLY	381	C	1	1	1[O],
GLY	381	O	1	1	1[O],
GLY	381	N	1	1	1[O],
ASP	385	OD2	6	1	1[C], 4[O], 1[P],
ASP	385	CB	3	1	2[O], 1[P],
ASP	385	CG	4	1	1[P], 3[O],
ASP	385	OD1	2	1	2[O],
Total = 99


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