Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C5_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 C5_S1
Complex: GDP_A_5(1VJ7) / Model_20(1VJ7/A) = [5.2]	Download	1309.27	1.15	MVTVREQLPEQLTELSEETTVEHAAETQVGLASWLDRVREILDGAELKQLEEVAHLTLQKELDSTVNHRSNTFATGVGMADILAHLHVDEDTLSAAMLYRSVREDITDIEEVKRKFGEQVYNLVKGTLAMGKLSELIEKNKRLEDHFNNNQREHLSGIYKMLISVTEDVRVVLIKLAERTYSLRELANSSRERQERVAREILTIYSPLAHRLGIAQLKWELEDLAFRYLAPDRYKEIASLLNEKRLEREHYIQFVIDRLKSELAAHGIEAEITGRAKHIYSIYRKMKSKNLSFDQLYDIRALRVLVNSVPECYHSLGIVHQIWRHIPHQFDDYITNPKANGYRSLHTAVIAENKSLEVQIRTHEMHDEAELGVCSHFNYKEGSKNTDHSFNHRLHSLRAVLEHYQERNETTVHQNEDETEGFDQLQDFEGFEKIYVFSRDGDIKELPRGSTVLDFAYHVHTEVGNKCYAARVNQRYVPLTYTLKTGEQVEILTKKDREPNRDWLVNSLGYIKTARARDKLRHWFRQQDRSKNLEVGRELLNKELSRLAIHPKSIDLNDYSSHFNVKTGDDILVSLVSGDISLHALINQINRQMHLDQDEPELVLKPTLNPRASHTLSAHGILIDGLDNVELHIAQCCQPVHGESIAGYITLNRGVSIHKVLCSDYQRMIKQEPERAVEADWEMQPTRGQSVQIVVEAYDRRGLLKDLTQVIFSDQINIRQVNTISEADGIANMKLLIEVKGLAQLSRLLARLEQQPGIISARRMIQGV
Consensus [pKd Mean = 5.20]	-	1309 (s=0)	1 (s=0)	MVTVREQLPEQLTELSEETTVEHAAETQVGLASWLDRVREILDGAELKQLEEVAHLTLQKELDSTVNHRSNTFATGVGMADILAHLHVDEDTLSAAMLYRSVREDITDIEEVKRKFGEQVYNLVKGTLAMGKLSELIEKNKRLEDHFNNNQREHLSGIYKMLISVTEDVRVVLIKLAERTYSLRELANSSRERQERVAREILTIYSPLAHRLGIAQLKWELEDLAFRYLAPDRYKEIASLLNEKRLEREHYIQFVIDRLKSELAAHGIEAEITGRAKHIYSIYRKMKSKNLSFDQLYDIRALRVLVNSVPECYHSLGIVHQIWRHIPHQFDDYITNPKANGYRSLHTAVIAENKSLEVQIRTHEMHDEAELGVCSHFNYKEGSKNTDHSFNHRLHSLRAVLEHYQERNETTVHQNEDETEGFDQLQDFEGFEKIYVFSRDGDIKELPRGSTVLDFAYHVHTEVGNKCYAARVNQRYVPLTYTLKTGEQVEILTKKDREPNRDWLVNSLGYIKTARARDKLRHWFRQQDRSKNLEVGRELLNKELSRLAIHPKSIDLNDYSSHFNVKTGDDILVSLVSGDISLHALINQINRQMHLDQDEPELVLKPTLNPRASHTLSAHGILIDGLDNVELHIAQCCQPVHGESIAGYITLNRGVSIHKVLCSDYQRMIKQEPERAVEADWEMQPTRGQSVQIVVEAYDRRGLLKDLTQVIFSDQINIRQVNTISEADGIANMKLLIEVKGLAQLSRLLARLEQQPGIISARRMIQGV

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
HIS	210	CD2	6	1	3[C], 1[O], 2[N],
HIS	210	O	1	1	1[O],
HIS	210	CE1	4	1	1[N], 1[O], 2[C],
HIS	210	ND1	1	1	1[O],
HIS	210	CG	2	1	1[O], 1[C],
HIS	210	NE2	7	1	2[N], 1[O], 4[C],
GLY	213	C	1	1	1[N],
GLY	213	O	2	1	2[N],
GLY	213	CA	2	1	1[O], 1[N],
ALA	215	CA	3	1	1[C], 2[N],
ALA	215	CB	5	1	3[N], 2[C],
ALA	215	N	2	1	2[N],
ALA	215	C	1	1	1[N],
TRP	219	CZ3	4	1	1[O], 2[N], 1[C],
TRP	219	CE2	5	1	1[O], 2[N], 2[C],
TRP	219	CZ2	13	1	4[N], 2[O], 7[C],
TRP	219	CE3	1	1	1[N],
TRP	219	NE1	2	1	1[C], 1[O],
ARG	275	NE	2	1	2[O],
ARG	275	CZ	7	1	4[C], 3[O],
ARG	275	CD	1	1	1[O],
LYS	277	CE	1	1	1[O],
LYS	277	CD	1	1	1[O],
LYS	277	NZ	4	1	3[C], 1[O],
LYS	285	NZ	1	1	1[O],
LYS	285	CD	1	1	1[O],
LYS	285	CE	2	1	1[O], 1[C],
ALA	301	CB	1	1	1[O],
ARG	303	CZ	1	1	1[O],
GLN	329	C	1	1	1[O],
GLN	329	O	1	1	1[O],
PHE	330	C	1	1	1[O],
ASP	331	CG	5	1	4[O], 1[P],
ASP	331	OD2	5	1	4[O], 1[P],
ASP	331	CB	4	1	1[P], 3[O],
ASP	331	OD1	4	1	3[O], 1[P],
ASP	331	CA	1	1	1[O],
ASP	331	N	1	1	1[O],
ASP	331	O	1	1	1[O],
TYR	333	CE1	3	1	1[P], 2[O],
TYR	333	CG	1	1	1[O],
TYR	333	CD2	3	1	2[O], 1[P],
TYR	333	CZ	5	1	1[P], 4[O],
TYR	333	CD1	1	1	1[O],
TYR	333	CE2	8	1	5[O], 1[N], 1[P], 1[C],
LYS	338	CG	4	1	1[O], 1[N], 2[C],
LYS	338	CD	8	1	2[O], 2[N], 4[C],
LYS	338	CE	10	1	1[P], 4[C], 2[N], 3[O],
LYS	338	NZ	13	1	2[N], 5[O], 2[P], 4[C],
LYS	338	CB	1	1	1[O],
ASN	340	CG	3	1	1[C], 1[O], 1[N],
ASN	340	OD1	4	1	2[C], 1[O], 1[N],
ASN	340	CB	1	1	1[O],
ASN	340	ND2	6	1	1[O], 2[N], 3[C],
TYR	342	CZ	14	1	5[N], 2[O], 7[C],
TYR	342	CG	11	1	5[C], 5[N], 1[O],
TYR	342	CE2	13	1	5[N], 2[O], 6[C],
TYR	342	CD1	12	1	5[N], 1[O], 6[C],
TYR	342	N	1	1	1[O],
TYR	342	CB	9	1	4[N], 1[O], 4[C],
TYR	342	CD2	11	1	6[C], 1[O], 4[N],
TYR	342	CE1	14	1	2[O], 5[N], 7[C],
TYR	342	CA	3	1	1[O], 1[N], 1[C],
HIS	346	ND1	15	1	4[C], 2[P], 8[O], 1[N],
HIS	346	CD2	10	1	5[O], 1[N], 1[P], 3[C],
HIS	346	CB	4	1	1[P], 3[O],
HIS	346	C	1	1	1[O],
HIS	346	O	1	1	1[O],
HIS	346	CA	1	1	1[O],
HIS	346	NE2	17	1	2[P], 7[C], 3[N], 5[O],
HIS	346	N	1	1	1[O],
HIS	346	CG	10	1	5[O], 3[C], 2[P],
HIS	346	CE1	20	1	8[C], 2[P], 8[O], 2[N],
GLU	357	OE2	2	1	1[O], 1[C],
GLU	357	OE1	6	1	3[O], 2[C], 1[P],
GLU	357	CD	3	1	2[C], 1[O],
GLN	359	NE2	16	1	9[C], 4[O], 3[N],
GLN	359	OE1	9	1	4[C], 3[O], 2[N],
GLN	359	CG	6	1	2[O], 4[C],
GLN	359	CD	11	1	6[C], 3[O], 2[N],
ARG	361	CZ	3	1	2[N], 1[C],
ALA	369	CB	5	1	2[C], 3[N],
ALA	369	CA	4	1	3[N], 1[C],
ALA	369	N	1	1	1[N],
ALA	369	O	6	1	2[C], 3[N], 1[O],
ALA	369	C	4	1	3[N], 1[C],
GLU	370	N	2	1	1[N], 1[C],
GLU	370	CD	1	1	1[N],
GLU	370	CG	1	1	1[N],
GLU	370	OE2	1	1	1[N],
GLU	370	C	1	1	1[N],
GLU	370	CA	1	1	1[N],
Total = 92


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