Atome 2 Filter

Binding Site Prediction
[Download fasta file] - [Download text file]
Binding Site Number :C8_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 C8_S1
Complex: FK5_A_8(4ODO) / Model_10(4ODO/A) = [6.7]	Download	1815.73	53.38	MTAIANNHVVSFHYKLTNAEGETLDQSQGEPLAYLHGAGNIIPGLENALTGKTVGDKFTVNVPAAEGYGEYNPDLVQEVPAQMFQGVDNIQPGMQFQAQTDDGVQIVTVKAVEGDNVIVDANFPLAGQDLTFEVEIVEIREASQEELDHGHVHGAGGHHH
Consensus [pKd Mean = 6.70]	-	1815 (s=0)	53 (s=0)	MTAIANNHVVSFHYKLTNAEGETLDQSQGEPLAYLHGAGNIIPGLENALTGKTVGDKFTVNVPAAEGYGEYNPDLVQEVPAQMFQGVDNIQPGMQFQAQTDDGVQIVTVKAVEGDNVIVDANFPLAGQDLTFEVEIVEIREASQEELDHGHVHGAGGHHH

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
PHE	12	CG	2	1	2[C],
PHE	12	CD1	2	1	2[C],
PHE	12	CE1	1	1	1[C],
TYR	14	CE1	24	1	1[N], 6[O], 17[C],
TYR	14	CD1	20	1	1[N], 6[O], 13[C],
TYR	14	CG	16	1	1[N], 5[O], 10[C],
TYR	14	CE2	21	1	1[N], 6[O], 14[C],
TYR	14	CD2	19	1	1[N], 6[O], 12[C],
TYR	14	CZ	27	1	1[N], 6[O], 20[C],
LEU	16	CD1	14	1	1[N], 3[O], 10[C],
LEU	16	CD2	19	1	14[C], 4[O], 1[N],
LEU	16	CG	15	1	1[N], 4[O], 10[C],
LEU	24	CG	3	1	2[O], 1[C],
LEU	24	CD1	6	1	4[C], 2[O],
ASP	25	CG	22	1	1[N], 6[O], 15[C],
ASP	25	OD2	28	1	20[C], 7[O], 1[N],
ASP	25	OD1	21	1	1[N], 5[O], 15[C],
SER	27	OG	6	1	4[C], 2[O],
LEU	32	CD2	29	1	1[N], 6[O], 22[C],
LEU	32	CD1	30	1	1[N], 6[O], 23[C],
LEU	32	CG	22	1	16[C], 5[O], 1[N],
TYR	34	CD2	5	1	2[O], 3[C],
TYR	34	CD1	6	1	2[O], 4[C],
TYR	34	CG	10	1	7[C], 3[O],
TYR	34	CE1	2	1	2[C],
TYR	34	CZ	1	1	1[C],
TYR	34	CE2	2	1	1[C], 1[O],
ASN	40	OD1	15	1	13[C], 2[O],
ASN	40	ND2	3	1	1[O], 2[C],
ASN	40	CG	12	1	1[O], 11[C],
ILE	41	CG2	21	1	17[C], 3[O], 1[N],
ILE	41	CD1	12	1	9[C], 3[O],
ILE	41	CG1	15	1	3[O], 12[C],
ILE	42	CG1	25	1	1[N], 5[O], 19[C],
ILE	42	CG2	28	1	22[C], 5[O], 1[N],
ILE	42	CD1	24	1	1[N], 5[O], 18[C],
PRO	43	CG	7	1	5[C], 2[O],
PRO	43	CD	12	1	3[O], 9[C],
LEU	45	CD1	5	1	1[O], 4[C],
LEU	45	CD2	14	1	1[N], 4[O], 9[C],
LEU	45	CG	11	1	7[C], 3[O], 1[N],
GLU	46	OE1	5	1	2[O], 3[C],
GLU	46	CD	1	1	1[O],
LEU	49	CD1	2	1	2[C],
VAL	62	CG2	1	1	1[C],
TYR	68	CE1	32	1	1[N], 8[O], 23[C],
TYR	68	CD1	23	1	1[N], 5[O], 17[C],
TYR	68	CD2	27	1	1[N], 5[O], 21[C],
TYR	68	CE2	36	1	1[N], 10[O], 25[C],
TYR	68	CZ	39	1	29[C], 9[O], 1[N],
TYR	68	CG	19	1	1[N], 4[O], 14[C],
PHE	123	CE2	11	1	9[C], 2[O],
PHE	123	CD2	5	1	2[O], 3[C],
PHE	123	CE1	7	1	2[O], 5[C],
PHE	123	CG	2	1	2[C],
PHE	123	CD1	4	1	2[O], 2[C],
PHE	123	CZ	9	1	2[O], 7[C],
PRO	124	CG	1	1	1[C],
PRO	124	CD	1	1	1[C],
LEU	125	CD2	5	1	2[O], 3[C],
LEU	125	CD1	14	1	9[C], 4[O], 1[N],
LEU	125	CG	9	1	3[O], 6[C],
LEU	130	CD2	5	1	2[O], 3[C],
LEU	130	CD1	14	1	10[C], 3[O], 1[N],
LEU	130	CG	8	1	1[N], 2[O], 5[C],
PHE	132	CE1	18	1	1[N], 6[O], 11[C],
PHE	132	CG	10	1	7[C], 2[O], 1[N],
PHE	132	CZ	18	1	1[N], 6[O], 11[C],
PHE	132	CD2	12	1	1[N], 3[O], 8[C],
PHE	132	CD1	13	1	9[C], 3[O], 1[N],
PHE	132	CE2	15	1	1[N], 4[O], 10[C],
VAL	134	CG2	3	1	3[C],
VAL	134	CG1	1	1	1[C],
Total = 73


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