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] : 3 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: BMG_D_14(2ZC5) / Model_22(2ZC5/D) = [4.4]	Download	1013.35	8.00	MNKPTILRLIKYLSISFLSLVIAAIVLGGGVFFYYVSKAPSLSESKLVATTSSKIYDNKNQLIADLGSERRVNAQANDIPTDLVKAIVSIEDHRFFDHRGIDTIRILGAFLRNLQSNSLQGGSALTQQLIKLTYFSTSTSDQTISRKAQEAWLAIQLEQKATKQEILTYYINKVYMSNGNYGMQTAAQNYYGKDLNNLSLPQLALLAGMPQAPNQYDPYSHPEAAQDRRNLVLSEMKNQGYISAEQYEKAVNTPITDGLQSLKSASNYPAYMDNYLKEVINQVEEETGYNLLTTGMDVYTNVDQEAQKHLWDIYNTDEYVAYPDDELQVASTIVDVSNGKVIAQLGARHQSSNVSFGINQAVETNRDWGSTMKPITDYAPALEYGVYESTATIVHDEPYNYPGTNTPVYNWDRGYFGNITLQYALQQSRNVPAVETLNKVGLNRAKTFLNGLGIDYPSIHYSNAISSNTTESDKKYGASSEKMAAAYAAFANGGTYYKPMYIHKVVFSDGSEKEFSNVGTRAMKETTAYMMTDMMKTVLSYGTGRNAYLAWLPQAGKTGTSNYTDEEIENHIKTSQFVAPDELFAGYTRKYSMAVWTGYSNRLTPLVGNGLTVAAKVYRSMMTYLSEGSNPEDWNIPEGLYRNGEFVFKNGARSTWSSPAPQQPPSTESSSSSSDSSTSQSSSTTPSTNNSTTTNPNNNTQQSNTTPDQQNQNPQPAQP
Complex: PCZ_B_12(2C5W) / Model_3(2C5W/B) = [4.1]	Download	1038.50	7.41	MNKPTILRLIKYLSISFLSLVIAAIVLGGGVFFYYVSKAPSLSESKLVATTSSKIYDNKNQLIADLGSERRVNAQANDIPTDLVKAIVSIEDHRFFDHRGIDTIRILGAFLRNLQSNSLQGGSALTQQLIKLTYFSTSTSDQTISRKAQEAWLAIQLEQKATKQEILTYYINKVYMSNGNYGMQTAAQNYYGKDLNNLSLPQLALLAGMPQAPNQYDPYSHPEAAQDRRNLVLSEMKNQGYISAEQYEKAVNTPITDGLQSLKSASNYPAYMDNYLKEVINQVEEETGYNLLTTGMDVYTNVDQEAQKHLWDIYNTDEYVAYPDDELQVASTIVDVSNGKVIAQLGARHQSSNVSFGINQAVETNRDWGSTMKPITDYAPALEYGVYESTATIVHDEPYNYPGTNTPVYNWDRGYFGNITLQYALQQSRNVPAVETLNKVGLNRAKTFLNGLGIDYPSIHYSNAISSNTTESDKKYGASSEKMAAAYAAFANGGTYYKPMYIHKVVFSDGSEKEFSNVGTRAMKETTAYMMTDMMKTVLSYGTGRNAYLAWLPQAGKTGTSNYTDEEIENHIKTSQFVAPDELFAGYTRKYSMAVWTGYSNRLTPLVGNGLTVAAKVYRSMMTYLSEGSNPEDWNIPEGLYRNGEFVFKNGARSTWSSPAPQQPPSTESSSSSSDSSTSQSSSTTPSTNNSTTTNPNNNTQQSNTTPDQQNQNPQPAQP
Complex: TEB_B_13(2ZC6) / Model_2(2ZC6/B) = [3.6]	Download	1088.33	14.04	MNKPTILRLIKYLSISFLSLVIAAIVLGGGVFFYYVSKAPSLSESKLVATTSSKIYDNKNQLIADLGSERRVNAQANDIPTDLVKAIVSIEDHRFFDHRGIDTIRILGAFLRNLQSNSLQGGSALTQQLIKLTYFSTSTSDQTISRKAQEAWLAIQLEQKATKQEILTYYINKVYMSNGNYGMQTAAQNYYGKDLNNLSLPQLALLAGMPQAPNQYDPYSHPEAAQDRRNLVLSEMKNQGYISAEQYEKAVNTPITDGLQSLKSASNYPAYMDNYLKEVINQVEEETGYNLLTTGMDVYTNVDQEAQKHLWDIYNTDEYVAYPDDELQVASTIVDVSNGKVIAQLGARHQSSNVSFGINQAVETNRDWGSTMKPITDYAPALEYGVYESTATIVHDEPYNYPGTNTPVYNWDRGYFGNITLQYALQQSRNVPAVETLNKVGLNRAKTFLNGLGIDYPSIHYSNAISSNTTESDKKYGASSEKMAAAYAAFANGGTYYKPMYIHKVVFSDGSEKEFSNVGTRAMKETTAYMMTDMMKTVLSYGTGRNAYLAWLPQAGKTGTSNYTDEEIENHIKTSQFVAPDELFAGYTRKYSMAVWTGYSNRLTPLVGNGLTVAAKVYRSMMTYLSEGSNPEDWNIPEGLYRNGEFVFKNGARSTWSSPAPQQPPSTESSSSSSDSSTSQSSSTTPSTNNSTTTNPNNNTQQSNTTPDQQNQNPQPAQP
Consensus [pKd Mean = 4.03]	-	1046 (s=31)	9 (s=3)	MNKPTILRLIKYLSISFLSLVIAAIVLGGGVFFYYVSKAPSLSESKLVATTSSKIYDNKNQLIADLGSERRVNAQANDIPTDLVKAIVSIEDHRFFDHRGIDTIRILGAFLRNLQSNSLQGGSALTQQLIKLTYFSTSTSDQTISRKAQEAWLAIQLEQKATKQEILTYYINKVYMSNGNYGMQTAAQNYYGKDLNNLSLPQLALLAGMPQAPNQYDPYSHPEAAQDRRNLVLSEMKNQGYISAEQYEKAVNTPITDGLQSLKSASNYPAYMDNYLKEVINQVEEETGYNLLTTGMDVYTNVDQEAQKHLWDIYNTDEYVAYPDDELQVASTIVDVSNGKVIAQLGARHQSSNVSFGINQAVETNRDWGSTMKPITDYAPALEYGVYESTATIVHDEPYNYPGTNTPVYNWDRGYFGNITLQYALQQSRNVPAVETLNKVGLNRAKTFLNGLGIDYPSIHYSNAISSNTTESDKKYGASSEKMAAAYAAFANGGTYYKPMYIHKVVFSDGSEKEFSNVGTRAMKETTAYMMTDMMKTVLSYGTGRNAYLAWLPQAGKTGTSNYTDEEIENHIKTSQFVAPDELFAGYTRKYSMAVWTGYSNRLTPLVGNGLTVAAKVYRSMMTYLSEGSNPEDWNIPEGLYRNGEFVFKNGARSTWSSPAPQQPPSTESSSSSSDSSTSQSSSTTPSTNNSTTTNPNNNTQQSNTTPDQQNQNPQPAQP

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ASP	367	OD2	14	3	1[S], 2[O], 9[C], 2[N],
ASP	367	CG	11	3	1[S], 2[O], 6[C], 2[N],
ASP	367	OD1	15	3	3[N], 8[C], 3[O], 1[S],
SER	370	OG	60	3	37[C], 4[S], 13[O], 6[N],
THR	371	OG1	6	3	3[C], 3[O],
THR	371	CG2	13	3	8[O], 5[C],
MET	372	CG	2	3	1[S], 1[O],
LYS	373	CD	32	3	18[C], 1[S], 9[O], 4[N],
LYS	373	CE	45	3	31[C], 1[S], 9[O], 4[N],
LYS	373	CG	21	3	4[N], 4[O], 13[C],
LYS	373	NZ	47	3	4[N], 11[O], 1[S], 31[C],
VAL	408	CG1	1	3	1[O],
ASN	410	OD1	12	3	1[S], 3[O], 8[C],
ASN	410	CG	6	3	3[O], 1[S], 2[C],
TRP	411	CG	63	3	4[S], 9[O], 40[C], 10[N],
TRP	411	CD2	50	3	33[C], 4[S], 5[O], 8[N],
TRP	411	CZ2	34	3	6[N], 24[C], 4[S],
TRP	411	CE3	39	3	6[N], 4[S], 2[O], 27[C],
TRP	411	CE2	46	3	30[C], 4[O], 4[S], 8[N],
TRP	411	CD1	63	3	10[N], 39[C], 4[S], 10[O],
TRP	411	CZ3	30	3	4[S], 21[C], 5[N],
TRP	411	NE1	53	3	8[N], 4[S], 8[O], 33[C],
ASP	412	CG	8	3	1[S], 5[C], 2[N],
ASP	412	OD2	9	3	1[S], 5[C], 3[N],
ASP	412	OD1	2	3	1[C], 1[S],
PHE	416	CZ	4	3	1[S], 2[C], 1[N],
PHE	416	CE2	3	3	1[C], 1[S], 1[N],
LEU	425	CD1	1	3	1[O],
GLN	427	OE1	17	3	1[S], 11[C], 5[N],
GLN	427	CG	8	3	1[S], 4[C], 3[N],
GLN	427	NE2	9	3	1[S], 5[C], 3[N],
GLN	427	CD	12	3	4[N], 1[S], 7[C],
SER	428	OG	58	3	7[N], 36[C], 3[S], 12[O],
ARG	429	CZ	5	3	2[N], 1[S], 2[C],
ARG	429	CD	5	3	2[N], 3[C],
ARG	429	CG	1	3	1[C],
ARG	429	NE	2	3	1[C], 1[S],
ASN	430	CG	44	3	6[N], 2[S], 7[O], 29[C],
ASN	430	ND2	46	3	6[N], 7[O], 2[S], 31[C],
ASN	430	OD1	52	3	34[C], 2[S], 10[O], 6[N],
ILE	465	CD1	31	3	18[C], 2[S], 7[O], 4[N],
ILE	465	CG1	28	3	4[N], 17[C], 1[S], 6[O],
ILE	465	CG2	30	3	17[C], 6[O], 2[S], 5[N],
SER	466	OG	9	3	6[C], 1[S], 2[N],
SER	467	OG	1	3	1[S],
ASN	468	ND2	3	3	1[N], 1[C], 1[S],
ASN	468	CG	3	3	1[C], 1[S], 1[N],
ASN	468	OD1	1	3	1[N],
VAL	538	CG1	8	3	3[C], 5[O],
VAL	538	CG2	2	3	2[O],
THR	543	OG1	45	3	27[C], 7[O], 3[S], 8[N],
THR	543	CG2	48	3	8[N], 7[O], 4[S], 29[C],
ARG	545	NE	7	3	1[S], 4[C], 2[N],
ARG	545	CG	1	3	1[C],
ARG	545	CZ	7	3	2[N], 4[C], 1[S],
ARG	545	CD	1	3	1[C],
LYS	557	CE	32	3	20[C], 9[O], 3[N],
LYS	557	CD	21	3	3[N], 9[C], 9[O],
LYS	557	CG	19	3	3[N], 8[C], 8[O],
LYS	557	NZ	45	3	29[C], 9[O], 3[S], 4[N],
THR	558	CG2	27	3	4[N], 7[O], 2[S], 14[C],
THR	558	OG1	47	3	29[C], 3[S], 9[O], 6[N],
THR	560	OG1	65	3	9[N], 3[S], 13[O], 40[C],
THR	560	CG2	64	3	4[S], 13[O], 40[C], 7[N],
SER	561	OG	18	3	10[C], 1[S], 3[O], 4[N],
ASN	562	CG	31	3	6[O], 1[S], 20[C], 4[N],
ASN	562	OD1	23	3	4[N], 1[S], 4[O], 14[C],
ASN	562	ND2	35	3	6[N], 22[C], 1[S], 6[O],
THR	564	CG2	1	3	1[N],
PHE	577	CZ	51	3	32[C], 6[O], 4[S], 9[N],
PHE	577	CD2	24	3	17[C], 2[S], 2[O], 3[N],
PHE	577	CD1	26	3	18[C], 1[O], 3[S], 4[N],
PHE	577	CG	17	3	3[N], 1[O], 2[S], 11[C],
PHE	577	CE2	41	3	7[N], 4[O], 3[S], 27[C],
PHE	577	CE1	40	3	6[N], 3[O], 4[S], 27[C],
PRO	580	CD	6	3	3[C], 3[N],
PRO	580	CG	3	3	2[N], 1[C],
ASP	581	OD2	4	3	2[N], 1[C], 1[S],
ASP	581	CG	1	3	1[N],
GLU	582	OE1	34	3	3[N], 2[S], 9[O], 20[C],
GLU	582	OE2	31	3	4[N], 2[S], 9[O], 16[C],
GLU	582	CD	25	3	1[N], 13[C], 2[S], 9[O],
GLU	582	CG	8	3	1[S], 4[O], 3[C],
LEU	583	CD2	2	3	2[O],
LEU	583	CG	5	3	2[C], 3[O],
LEU	583	CD1	16	3	6[O], 1[S], 9[C],
PHE	584	CD1	2	3	2[O],
ARG	602	CZ	1	3	1[N],
LEU	611	CG	1	3	1[S],
LEU	611	CD1	4	3	2[S], 2[C],
LEU	611	CD2	5	3	2[S], 2[O], 1[C],
Total = 91


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