Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ATP_A_2(2C96) / Model_15(2C96/A) = [6.4]	Download	1817.03	15.59	MNKLLKKEILCYLENQTAFFDLEHMNEVFTAQRLADHFGVKRNTVSHYLNQLNDEQLLVKINSRPVIYFHKEAFEKQFFKLRTNFYFSIDDLKEEQPFFAQPKDLFSFMIGYDASLKESIEQIKTALYYPDGGLPLLITGESGTGKSYLVNLVYQYCLLHDLLEDSAPFITFNCAQYADNPELLTSNLFGHVKGAYTGAEENKKGAFEAADGGILFLDEVHRLTPEGQEKLFTYLDQGVIYRMGEPNLSRRIKTRLFFATTEEITSHFLTTFIRRIPIRIELPALNQRSRNERLELIYSFFLEEQRKMGSPLSVSGPALSLLTSQKLSGNIGELKNIVKVSAAKAYAEQREQPEIHVTIHHLQKELLAQPITKNTAQQGIYITQDQTLEQLMEKQQPEQQRIVKSFEQILIDFKKNNCLLYSCEGKLKQEVIQLFDFLLFETSRQEKHELLVYWTQSIRETFRQMETAYQIKFDGNSVYALSYYLYQRSTIKWLPEEHDIIQLIKELEQQVSQSYPSSYHYVQRILELSKIKLDIEDTSMDRILLTIYLKKAKWSKEKRLPKAMIAAHGYATASSMANVVNRLLQEDLFESFDMPLDVTPQQIASEILDYCENSDVSNGLIILVDMGSLKEIHQFFKKQLSVPLLILNNVTTPLAITVGECLQKNVSLEEIAEETVRQIQPEWRLLYPEENKPKALITTCFTGIGTAVHLSELLEKSLPTACQLKIIPYEYQQLKDKKNSDPLFSIYEVVGMIGTTDPDITNIDYLSLEDLISGEKMSVLAEWLDTTMNASEKEIFNQRIIRNFSLEKVLDSVTILDTEKVMGEIDHFMRELEVQLNRSISNPKKLALYVHVSCLIERLIRQMPIETYQGLEKWKQCQKEGLSAIKSAFSVIEEHYSVMIPNSEIAYIYDILSEDTEFLSIEEEF
Complex: ANP_A_2(2C99) / Model_17(2C99/A) = [6.2]	Download	1746.93	4.56	MNKLLKKEILCYLENQTAFFDLEHMNEVFTAQRLADHFGVKRNTVSHYLNQLNDEQLLVKINSRPVIYFHKEAFEKQFFKLRTNFYFSIDDLKEEQPFFAQPKDLFSFMIGYDASLKESIEQIKTALYYPDGGLPLLITGESGTGKSYLVNLVYQYCLLHDLLEDSAPFITFNCAQYADNPELLTSNLFGHVKGAYTGAEENKKGAFEAADGGILFLDEVHRLTPEGQEKLFTYLDQGVIYRMGEPNLSRRIKTRLFFATTEEITSHFLTTFIRRIPIRIELPALNQRSRNERLELIYSFFLEEQRKMGSPLSVSGPALSLLTSQKLSGNIGELKNIVKVSAAKAYAEQREQPEIHVTIHHLQKELLAQPITKNTAQQGIYITQDQTLEQLMEKQQPEQQRIVKSFEQILIDFKKNNCLLYSCEGKLKQEVIQLFDFLLFETSRQEKHELLVYWTQSIRETFRQMETAYQIKFDGNSVYALSYYLYQRSTIKWLPEEHDIIQLIKELEQQVSQSYPSSYHYVQRILELSKIKLDIEDTSMDRILLTIYLKKAKWSKEKRLPKAMIAAHGYATASSMANVVNRLLQEDLFESFDMPLDVTPQQIASEILDYCENSDVSNGLIILVDMGSLKEIHQFFKKQLSVPLLILNNVTTPLAITVGECLQKNVSLEEIAEETVRQIQPEWRLLYPEENKPKALITTCFTGIGTAVHLSELLEKSLPTACQLKIIPYEYQQLKDKKNSDPLFSIYEVVGMIGTTDPDITNIDYLSLEDLISGEKMSVLAEWLDTTMNASEKEIFNQRIIRNFSLEKVLDSVTILDTEKVMGEIDHFMRELEVQLNRSISNPKKLALYVHVSCLIERLIRQMPIETYQGLEKWKQCQKEGLSAIKSAFSVIEEHYSVMIPNSEIAYIYDILSEDTEFLSIEEEF
Complex: ADP_A_3(3DZD) / Model_7(3DZD/A) = [5.0]	Download	1465.82	2.50	MNKLLKKEILCYLENQTAFFDLEHMNEVFTAQRLADHFGVKRNTVSHYLNQLNDEQLLVKINSRPVIYFHKEAFEKQFFKLRTNFYFSIDDLKEEQPFFAQPKDLFSFMIGYDASLKESIEQIKTALYYPDGGLPLLITGESGTGKSYLVNLVYQYCLLHDLLEDSAPFITFNCAQYADNPELLTSNLFGHVKGAYTGAEENKKGAFEAADGGILFLDEVHRLTPEGQEKLFTYLDQGVIYRMGEPNLSRRIKTRLFFATTEEITSHFLTTFIRRIPIRIELPALNQRSRNERLELIYSFFLEEQRKMGSPLSVSGPALSLLTSQKLSGNIGELKNIVKVSAAKAYAEQREQPEIHVTIHHLQKELLAQPITKNTAQQGIYITQDQTLEQLMEKQQPEQQRIVKSFEQILIDFKKNNCLLYSCEGKLKQEVIQLFDFLLFETSRQEKHELLVYWTQSIRETFRQMETAYQIKFDGNSVYALSYYLYQRSTIKWLPEEHDIIQLIKELEQQVSQSYPSSYHYVQRILELSKIKLDIEDTSMDRILLTIYLKKAKWSKEKRLPKAMIAAHGYATASSMANVVNRLLQEDLFESFDMPLDVTPQQIASEILDYCENSDVSNGLIILVDMGSLKEIHQFFKKQLSVPLLILNNVTTPLAITVGECLQKNVSLEEIAEETVRQIQPEWRLLYPEENKPKALITTCFTGIGTAVHLSELLEKSLPTACQLKIIPYEYQQLKDKKNSDPLFSIYEVVGMIGTTDPDITNIDYLSLEDLISGEKMSVLAEWLDTTMNASEKEIFNQRIIRNFSLEKVLDSVTILDTEKVMGEIDHFMRELEVQLNRSISNPKKLALYVHVSCLIERLIRQMPIETYQGLEKWKQCQKEGLSAIKSAFSVIEEHYSVMIPNSEIAYIYDILSEDTEFLSIEEEF
Complex: AMP_A_2(2VII) / Model_18(2VII/A) = [4.5]	Download	1094.04	-2.88	MNKLLKKEILCYLENQTAFFDLEHMNEVFTAQRLADHFGVKRNTVSHYLNQLNDEQLLVKINSRPVIYFHKEAFEKQFFKLRTNFYFSIDDLKEEQPFFAQPKDLFSFMIGYDASLKESIEQIKTALYYPDGGLPLLITGESGTGKSYLVNLVYQYCLLHDLLEDSAPFITFNCAQYADNPELLTSNLFGHVKGAYTGAEENKKGAFEAADGGILFLDEVHRLTPEGQEKLFTYLDQGVIYRMGEPNLSRRIKTRLFFATTEEITSHFLTTFIRRIPIRIELPALNQRSRNERLELIYSFFLEEQRKMGSPLSVSGPALSLLTSQKLSGNIGELKNIVKVSAAKAYAEQREQPEIHVTIHHLQKELLAQPITKNTAQQGIYITQDQTLEQLMEKQQPEQQRIVKSFEQILIDFKKNNCLLYSCEGKLKQEVIQLFDFLLFETSRQEKHELLVYWTQSIRETFRQMETAYQIKFDGNSVYALSYYLYQRSTIKWLPEEHDIIQLIKELEQQVSQSYPSSYHYVQRILELSKIKLDIEDTSMDRILLTIYLKKAKWSKEKRLPKAMIAAHGYATASSMANVVNRLLQEDLFESFDMPLDVTPQQIASEILDYCENSDVSNGLIILVDMGSLKEIHQFFKKQLSVPLLILNNVTTPLAITVGECLQKNVSLEEIAEETVRQIQPEWRLLYPEENKPKALITTCFTGIGTAVHLSELLEKSLPTACQLKIIPYEYQQLKDKKNSDPLFSIYEVVGMIGTTDPDITNIDYLSLEDLISGEKMSVLAEWLDTTMNASEKEIFNQRIIRNFSLEKVLDSVTILDTEKVMGEIDHFMRELEVQLNRSISNPKKLALYVHVSCLIERLIRQMPIETYQGLEKWKQCQKEGLSAIKSAFSVIEEHYSVMIPNSEIAYIYDILSEDTEFLSIEEEF
Consensus [pKd Mean = 5.53]	-	1530 (s=284)	4 (s=6)	MNKLLKKEILCYLENQTAFFDLEHMNEVFTAQRLADHFGVKRNTVSHYLNQLNDEQLLVKINSRPVIYFHKEAFEKQFFKLRTNFYFSIDDLKEEQPFFAQPKDLFSFMIGYDASLKESIEQIKTALYYPDGGLPLLITGESGTGKSYLVNLVYQYCLLHDLLEDSAPFITFNCAQYADNPELLTSNLFGHVKGAYTGAEENKKGAFEAADGGILFLDEVHRLTPEGQEKLFTYLDQGVIYRMGEPNLSRRIKTRLFFATTEEITSHFLTTFIRRIPIRIELPALNQRSRNERLELIYSFFLEEQRKMGSPLSVSGPALSLLTSQKLSGNIGELKNIVKVSAAKAYAEQREQPEIHVTIHHLQKELLAQPITKNTAQQGIYITQDQTLEQLMEKQQPEQQRIVKSFEQILIDFKKNNCLLYSCEGKLKQEVIQLFDFLLFETSRQEKHELLVYWTQSIRETFRQMETAYQIKFDGNSVYALSYYLYQRSTIKWLPEEHDIIQLIKELEQQVSQSYPSSYHYVQRILELSKIKLDIEDTSMDRILLTIYLKKAKWSKEKRLPKAMIAAHGYATASSMANVVNRLLQEDLFESFDMPLDVTPQQIASEILDYCENSDVSNGLIILVDMGSLKEIHQFFKKQLSVPLLILNNVTTPLAITVGECLQKNVSLEEIAEETVRQIQPEWRLLYPEENKPKALITTCFTGIGTAVHLSELLEKSLPTACQLKIIPYEYQQLKDKKNSDPLFSIYEVVGMIGTTDPDITNIDYLSLEDLISGEKMSVLAEWLDTTMNASEKEIFNQRIIRNFSLEKVLDSVTILDTEKVMGEIDHFMRELEVQLNRSISNPKKLALYVHVSCLIERLIRQMPIETYQGLEKWKQCQKEGLSAIKSAFSVIEEHYSVMIPNSEIAYIYDILSEDTEFLSIEEEF

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
ILE	138	CG2	8	4	1[P], 7[O],
ILE	138	CD1	2	4	2[O],
SER	142	OG	24	4	17[O], 6[P], 1[N],
THR	144	OG1	51	4	5[N], 9[P], 9[C], 28[O],
THR	144	CG2	36	4	5[N], 6[P], 5[C], 20[O],
LYS	146	CD	35	4	1[C], 24[O], 1[N], 9[P],
LYS	146	CG	40	4	29[O], 1[C], 9[P], 1[N],
LYS	146	NZ	40	4	3[C], 27[O], 1[N], 9[P],
LYS	146	CE	39	4	1[N], 9[P], 1[C], 28[O],
SER	147	OG	48	4	8[C], 30[O], 1[N], 9[P],
TYR	148	CD1	69	4	2[P], 20[N], 13[O], 34[C],
TYR	148	CZ	47	4	20[N], 4[O], 23[C],
TYR	148	CE2	47	4	20[N], 23[C], 4[O],
TYR	148	CG	77	4	37[C], 18[O], 20[N], 2[P],
TYR	148	CD2	60	4	28[C], 10[O], 20[N], 2[P],
TYR	148	CE1	53	4	27[C], 6[O], 20[N],
VAL	150	CG2	7	4	7[O],
LEU	152	CD1	3	4	3[N],
ASN	173	ND2	9	4	1[P], 1[N], 7[O],
ASN	173	OD1	10	4	8[O], 2[P],
ASN	173	CG	8	4	2[P], 6[O],
GLN	176	NE2	3	4	3[O],
PHE	216	CG	3	4	3[O],
PHE	216	CZ	32	4	23[O], 1[N], 8[P],
PHE	216	CE2	31	4	22[O], 1[N], 8[P],
PHE	216	CE1	14	4	3[P], 11[O],
PHE	216	CD2	10	4	1[P], 9[O],
PHE	216	CD1	3	4	3[O],
ASP	218	OD1	31	4	7[P], 1[N], 22[O], 1[C],
ASP	218	OD2	36	4	26[O], 1[N], 9[P],
ASP	218	CG	31	4	23[O], 7[P], 1[N],
GLU	219	OE1	8	4	6[O], 2[P],
GLU	219	OE2	11	4	8[O], 2[P], 1[N],
GLU	219	CG	8	4	2[P], 6[O],
GLU	219	CD	8	4	2[P], 6[O],
THR	261	OG1	5	4	4[O], 1[P],
THR	261	CG2	13	4	1[N], 2[P], 10[O],
LEU	282	CG	12	4	6[O], 3[N], 3[P],
LEU	282	CD2	10	4	3[O], 3[C], 4[N],
LEU	282	CD1	38	4	19[O], 6[C], 6[P], 7[N],
LEU	285	CD1	1	4	1[N],
ARG	288	NE	14	4	9[N], 5[C],
ARG	288	CD	8	4	5[N], 3[C],
ARG	288	CZ	30	4	14[N], 16[C],
ASN	291	ND2	4	4	4[N],
ASN	291	CG	3	4	3[N],
LEU	294	CD2	6	4	4[N], 2[C],
GLU	295	CG	28	4	15[N], 13[C],
GLU	295	OE1	36	4	18[C], 3[O], 15[N],
GLU	295	OE2	35	4	2[O], 18[C], 15[N],
GLU	295	CD	35	4	18[C], 2[O], 15[N],
ILE	297	CG1	12	4	5[N], 1[O], 6[C],
ILE	297	CG2	13	4	5[N], 1[O], 7[C],
ILE	297	CD1	12	4	5[N], 1[O], 6[C],
TYR	298	CG	8	4	5[N], 3[C],
TYR	298	CZ	9	4	3[C], 6[N],
TYR	298	CE1	3	4	3[C],
TYR	298	CD1	3	4	3[C],
TYR	298	CD2	9	4	6[N], 3[C],
TYR	298	CE2	9	4	6[N], 3[C],
PHE	300	CG	15	4	9[C], 6[N],
PHE	300	CE1	46	4	6[O], 25[C], 15[N],
PHE	300	CE2	57	4	17[N], 31[C], 9[O],
PHE	300	CD2	32	4	13[C], 7[O], 12[N],
PHE	300	CD1	21	4	10[C], 2[O], 9[N],
PHE	300	CZ	56	4	9[O], 29[C], 18[N],
PHE	301	CD2	14	4	8[C], 2[O], 4[N],
PHE	301	CD1	16	4	4[N], 9[C], 3[O],
PHE	301	CG	10	4	3[N], 2[O], 5[C],
PHE	301	CZ	19	4	5[N], 10[C], 4[O],
PHE	301	CE2	18	4	5[N], 10[C], 3[O],
PHE	301	CE1	18	4	5[N], 10[C], 3[O],
GLU	304	OE2	2	4	1[N], 1[O],
GLU	304	OE1	6	4	2[O], 3[C], 1[N],
GLU	304	CD	2	4	1[N], 1[O],
ASN	330	CG	4	4	4[O],
ASN	330	ND2	7	4	6[O], 1[N],
ILE	331	CG2	84	4	40[C], 21[O], 20[N], 3[P],
ILE	331	CD1	90	4	20[N], 5[P], 40[C], 25[O],
ILE	331	CG1	84	4	40[C], 20[O], 20[N], 4[P],
LYS	335	NZ	37	4	1[P], 5[N], 14[O], 17[C],
LYS	335	CE	40	4	1[P], 6[N], 13[O], 20[C],
LYS	335	CG	38	4	11[O], 20[C], 7[N],
LYS	335	CD	53	4	10[N], 1[P], 29[C], 13[O],
LYS	339	NZ	1	4	1[O],
Total = 85


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