Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ANP_C_3(1J1B) / Model_5(1J1B/A) = [5.3]	Download	367.89	26.50	MGACVCVHVFRLLLCSRFFLFAVPSSSPAPPSRVSCPSSQKAFLRARVCVPRRASRCGSGSSRHRAPVARIRTFTRIAHSPKALSKYCPFTPLSTSSCFSRFAFFRPPFPLPTLQVMSEKSVRSRRPLSVSRASARASAASRPQLHRTVSSDGASPSQATAPMYRPLRYVGRGSFGVVLLAEEVHTGVKVAIKRVHYDARLHNREVAILNSVLVDNPRHQQPSHTVVDSNDASRLPGGAARASSTSFLSASSSSHTVEDVHLWPGTHHPNIVELLDFYVTYDTASSEQALGPDMVGVGGASAGFESLPSHHPAAHRYPLSGGSGAASTNAPPVSAPLAAFAYLEMVMSYLPMDLCYVKKYYFRFHDMPTMVTSSSPSPLASPEQAAAELLSGELPEGTADRPPASPKHAGTGCNGSNSSRHSSTGGSGGDAFNHLPLRWVKVVLFQLARALAFMHVRHVCHRDLKPANVLVDPDTGRVQVCDFGSAKQIARPAEEKNVSYICSRYYRAPELLFGALHYGCAVDMWSFGCIAAELLRESGKPLFRGCTSIDQMAELFKVLGAPSKREMYAMNPQCAEALLRTRAMHRHQSLDTDPHSGSGGGVRQDRSCGLELEVDYQAEEEDDVELRGGAQQGGYDVDGHGDFLRDALDDGISSQASASPGMATASPPSSCTKDPRDYKTAFSAPPSTAATATLDDVAPTPFEEYYDVLKVHAIPWRRLFPADTPTEAVALVASLLCYAPDKRLTAAELVEHPFFDDLFSAADAQLGAVGRDTATAMASGTTNSPSEDDGVASAALRLPNGRLMPLSMFQVTEVERGLYTDAFLTRMARQAELVAAAMKQDEYP
Complex: ADP_A_10(4NM0) / Model_13(4NM0/A) = [5.1]	Download	356.65	32.86	MGACVCVHVFRLLLCSRFFLFAVPSSSPAPPSRVSCPSSQKAFLRARVCVPRRASRCGSGSSRHRAPVARIRTFTRIAHSPKALSKYCPFTPLSTSSCFSRFAFFRPPFPLPTLQVMSEKSVRSRRPLSVSRASARASAASRPQLHRTVSSDGASPSQATAPMYRPLRYVGRGSFGVVLLAEEVHTGVKVAIKRVHYDARLHNREVAILNSVLVDNPRHQQPSHTVVDSNDASRLPGGAARASSTSFLSASSSSHTVEDVHLWPGTHHPNIVELLDFYVTYDTASSEQALGPDMVGVGGASAGFESLPSHHPAAHRYPLSGGSGAASTNAPPVSAPLAAFAYLEMVMSYLPMDLCYVKKYYFRFHDMPTMVTSSSPSPLASPEQAAAELLSGELPEGTADRPPASPKHAGTGCNGSNSSRHSSTGGSGGDAFNHLPLRWVKVVLFQLARALAFMHVRHVCHRDLKPANVLVDPDTGRVQVCDFGSAKQIARPAEEKNVSYICSRYYRAPELLFGALHYGCAVDMWSFGCIAAELLRESGKPLFRGCTSIDQMAELFKVLGAPSKREMYAMNPQCAEALLRTRAMHRHQSLDTDPHSGSGGGVRQDRSCGLELEVDYQAEEEDDVELRGGAQQGGYDVDGHGDFLRDALDDGISSQASASPGMATASPPSSCTKDPRDYKTAFSAPPSTAATATLDDVAPTPFEEYYDVLKVHAIPWRRLFPADTPTEAVALVASLLCYAPDKRLTAAELVEHPFFDDLFSAADAQLGAVGRDTATAMASGTTNSPSEDDGVASAALRLPNGRLMPLSMFQVTEVERGLYTDAFLTRMARQAELVAAAMKQDEYP
Consensus [pKd Mean = 5.20]	-	362 (s=5)	29 (s=3)	MGACVCVHVFRLLLCSRFFLFAVPSSSPAPPSRVSCPSSQKAFLRARVCVPRRASRCGSGSSRHRAPVARIRTFTRIAHSPKALSKYCPFTPLSTSSCFSRFAFFRPPFPLPTLQVMSEKSVRSRRPLSVSRASARASAASRPQLHRTVSSDGASPSQATAPMYRPLRYVGRGSFGVVLLAEEVHTGVKVAIKRVHYDARLHNREVAILNSVLVDNPRHQQPSHTVVDSNDASRLPGGAARASSTSFLSASSSSHTVEDVHLWPGTHHPNIVELLDFYVTYDTASSEQALGPDMVGVGGASAGFESLPSHHPAAHRYPLSGGSGAASTNAPPVSAPLAAFAYLEMVMSYLPMDLCYVKKYYFRFHDMPTMVTSSSPSPLASPEQAAAELLSGELPEGTADRPPASPKHAGTGCNGSNSSRHSSTGGSGGDAFNHLPLRWVKVVLFQLARALAFMHVRHVCHRDLKPANVLVDPDTGRVQVCDFGSAKQIARPAEEKNVSYICSRYYRAPELLFGALHYGCAVDMWSFGCIAAELLRESGKPLFRGCTSIDQMAELFKVLGAPSKREMYAMNPQCAEALLRTRAMHRHQSLDTDPHSGSGGGVRQDRSCGLELEVDYQAEEEDDVELRGGAQQGGYDVDGHGDFLRDALDDGISSQASASPGMATASPPSSCTKDPRDYKTAFSAPPSTAATATLDDVAPTPFEEYYDVLKVHAIPWRRLFPADTPTEAVALVASLLCYAPDKRLTAAELVEHPFFDDLFSAADAQLGAVGRDTATAMASGTTNSPSEDDGVASAALRLPNGRLMPLSMFQVTEVERGLYTDAFLTRMARQAELVAAAMKQDEYP

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
HIS	461	NE2	4	2	4[O],
HIS	461	CE1	4	2	4[O],
ASP	463	O	5	2	4[O], 1[P],
ASP	463	CG	10	2	7[O], 1[N], 2[P],
ASP	463	CB	6	2	4[O], 1[N], 1[P],
ASP	463	OD1	6	2	4[O], 1[N], 1[P],
ASP	463	C	2	2	2[O],
ASP	463	CA	2	2	2[O],
ASP	463	OD2	18	2	12[O], 1[N], 5[P],
LYS	465	CD	8	2	6[O], 1[N], 1[P],
LYS	465	CB	1	2	1[O],
LYS	465	O	2	2	2[O],
LYS	465	CG	7	2	6[O], 1[P],
LYS	465	NZ	23	2	13[O], 4[C], 1[N], 5[P],
LYS	465	CE	16	2	9[O], 2[C], 1[N], 4[P],
PRO	466	C	2	2	2[O],
PRO	466	O	7	2	4[O], 3[C],
ALA	467	O	45	2	18[O], 16[C], 7[N], 4[P],
ALA	467	N	9	2	5[O], 4[C],
ALA	467	C	33	2	16[O], 2[N], 12[C], 3[P],
ALA	467	CB	23	2	12[O], 9[C], 2[P],
ALA	467	CA	19	2	9[O], 9[C], 1[P],
ASN	468	ND2	27	2	17[O], 4[C], 1[N], 5[P],
ASN	468	CB	25	2	13[O], 7[C], 1[N], 4[P],
ASN	468	CG	34	2	18[O], 10[C], 1[N], 5[P],
ASN	468	C	15	2	9[O], 5[C], 1[P],
ASN	468	OD1	44	2	22[O], 12[C], 5[N], 5[P],
ASN	468	CA	34	2	15[O], 12[C], 4[N], 3[P],
ASN	468	O	12	2	7[O], 4[C], 1[P],
ASN	468	N	25	2	14[O], 8[C], 3[P],
VAL	469	CA	1	2	1[O],
VAL	469	C	6	2	3[O], 3[C],
VAL	469	O	5	2	3[O], 2[C],
VAL	469	N	11	2	7[O], 4[C],
LEU	470	N	20	2	3[O], 6[N], 11[C],
LEU	470	CG	41	2	12[O], 10[N], 18[C], 1[P],
LEU	470	CB	29	2	3[O], 10[N], 16[C],
LEU	470	C	4	2	2[C], 2[N],
LEU	470	CD2	44	2	12[O], 10[N], 20[C], 2[P],
LEU	470	CD1	40	2	11[O], 10[N], 18[C], 1[P],
LEU	470	CA	25	2	3[O], 10[N], 12[C],
VAL	471	N	4	2	2[C], 2[N],
VAL	471	O	2	2	2[C],
GLN	479	CD	8	2	4[N], 4[C],
GLN	479	OE1	11	2	6[C], 5[N],
GLN	479	CB	3	2	2[N], 1[C],
GLN	479	NE2	6	2	4[N], 2[C],
GLN	479	O	6	2	3[C], 3[N],
GLN	479	CG	4	2	2[N], 2[C],
VAL	480	C	2	2	1[O], 1[N],
VAL	480	O	3	2	3[N],
CYS	481	O	22	2	12[O], 3[C], 3[N], 4[P],
CYS	481	CB	49	2	16[O], 10[N], 20[C], 3[P],
CYS	481	CA	28	2	9[O], 6[N], 11[C], 2[P],
CYS	481	N	13	2	4[O], 4[N], 4[C], 1[P],
CYS	481	C	32	2	12[O], 9[C], 7[N], 4[P],
CYS	481	SG	53	2	17[O], 20[C], 11[N], 5[P],
ASP	482	N	43	2	14[O], 17[C], 7[N], 5[P],
ASP	482	CB	44	2	20[O], 14[C], 5[N], 5[P],
ASP	482	CA	38	2	17[O], 11[C], 5[N], 5[P],
ASP	482	O	19	2	13[O], 1[N], 5[P],
ASP	482	C	20	2	14[O], 1[N], 5[P],
ASP	482	CG	37	2	20[O], 9[C], 3[N], 5[P],
ASP	482	OD2	35	2	20[O], 9[C], 1[N], 5[P],
ASP	482	OD1	31	2	17[O], 8[C], 1[N], 5[P],
PHE	483	N	18	2	12[O], 1[N], 5[P],
PHE	483	C	7	2	5[O], 1[N], 1[P],
PHE	483	CB	2	2	2[O],
PHE	483	O	1	2	1[O],
PHE	483	CD1	2	2	2[O],
PHE	483	CA	10	2	6[O], 1[N], 3[P],
GLY	484	N	18	2	12[O], 1[N], 5[P],
GLY	484	O	5	2	3[O], 1[N], 1[P],
GLY	484	CA	17	2	11[O], 1[N], 5[P],
GLY	484	C	9	2	5[O], 1[N], 3[P],
SER	485	CB	3	2	2[O], 1[N],
SER	485	OG	8	2	5[O], 1[N], 2[P],
SER	485	CA	2	2	2[O],
SER	485	N	6	2	3[O], 1[N], 2[P],
SER	503	OG	4	2	3[O], 1[P],
SER	503	CB	1	2	1[O],
Total = 81


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