data_27320
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Hierarchical regulation of FOXO1 by AMPK and AKT through interactions with 14-3-3 proteins
;
_BMRB_accession_number 27320
_BMRB_flat_file_name bmr27320.str
_Entry_type original
_Submission_date 2017-11-30
_Accession_date 2017-11-30
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'chemical shift for backbone N-terminal domain of FOXO1 phosphorylated on S22'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Saline Maria . .
2 Badertscher Lukas . .
3 Gunnarsson Anders . .
4 Snow Melanie . .
5 Jacso Tomas . .
6 Norris Tyrrell . .
7 Snijder Arjan . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 39
"13C chemical shifts" 78
"15N chemical shifts" 41
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2019-11-11 update BMRB 'update entry citation'
2019-07-15 original author 'original release'
stop_
loop_
_Related_BMRB_accession_number
_Relationship
27336 'N-terminal domain of FOXO1'
27337 'N-terminal FOXO1 pThr24'
stop_
_Original_release_date 2017-12-01
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title
;
AMPK and AKT protein kinases hierarchically phosphorylate the N-terminus of the FOXO1 transcription factor, modulating interactions with 14-3-3 proteins
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 31308176
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Saline Maria . .
2 Badertscher Lukas . .
3 Wolter Madita . .
4 Lau Roxanne . .
5 Gunnarsson Anders . .
6 Jacso Tomas . .
7 Norris Tyrrell . .
8 Ottmann Christian . .
9 Snijder Arjan . .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_volume 294
_Journal_issue 35
_Journal_ISSN 1083-351X
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 13106
_Page_last 13116
_Year 2019
_Details .
loop_
_Keyword
FOXO1
phosphorylation
regulation
transcriptionfactor
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'N-terminal domain of FOXO1 phosphorylated on S22'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'N-terminal domain of FOXO1 phosphorylated on S22' $FOXO1_(1-46)_protein_HN-tagged
stop_
_System_molecular_weight 7622.1
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_FOXO1_(1-46)_protein_HN-tagged
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'N-terminal domain of FOXO1 phosphorylated on S22'
_Molecular_mass 7622.1
_Mol_thiol_state 'free disulfide and other bound'
loop_
_Biological_function
'transcription factor'
stop_
_Details 'Ser 22, number 43 in the polypeptide, is phosphorylated.'
##############################
# Polymer residue sequence #
##############################
_Residue_count 67
_Mol_residue_sequence
;
MAHNHNHNHNHNHNENLYFQ
GMAEAPQVVEIDPDFEPLPR
PRXCTWPLPRPEFSQSNSAT
SSPAPSG
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 ALA 3 HIS 4 ASN 5 HIS
6 ASN 7 HIS 8 ASN 9 HIS 10 ASN
11 HIS 12 ASN 13 HIS 14 ASN 15 GLU
16 ASN 17 LEU 18 TYR 19 PHE 20 GLN
21 GLY 22 MET 23 ALA 24 GLU 25 ALA
26 PRO 27 GLN 28 VAL 29 VAL 30 GLU
31 ILE 32 ASP 33 PRO 34 ASP 35 PHE
36 GLU 37 PRO 38 LEU 39 PRO 40 ARG
41 PRO 42 ARG 43 SEP 44 CYS 45 THR
46 TRP 47 PRO 48 LEU 49 PRO 50 ARG
51 PRO 52 GLU 53 PHE 54 SER 55 GLN
56 SER 57 ASN 58 SER 59 ALA 60 THR
61 SER 62 SER 63 PRO 64 ALA 65 PRO
66 SER 67 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 27336 'N-terminal domain of FOXO1' . . . . .
BMRB 27337 'N-terminal FOXO1 pThr24' . . . . .
stop_
save_
######################
# Polymer residues #
######################
save_chem_comp_SEP
_Saveframe_category polymer_residue
_Mol_type 'L-PEPTIDE LINKING'
_Name_common PHOSPHOSERINE
_BMRB_code SEP
_PDB_code SEP
_Standard_residue_derivative .
_Molecular_mass 185.072
_Mol_paramagnetic .
_Details .
loop_
_Atom_name
_PDB_atom_name
_Atom_type
_Atom_chirality
_Atom_charge
_Atom_oxidation_number
_Atom_unpaired_electrons
N N N . 0 . ?
CA CA C . 0 . ?
CB CB C . 0 . ?
OG OG O . 0 . ?
C C C . 0 . ?
O O O . 0 . ?
OXT OXT O . 0 . ?
P P P . 0 . ?
O1P O1P O . 0 . ?
O2P O2P O . 0 . ?
O3P O3P O . 0 . ?
H H H . 0 . ?
H2 H2 H . 0 . ?
HA HA H . 0 . ?
HB2 HB2 H . 0 . ?
HB3 HB3 H . 0 . ?
HXT HXT H . 0 . ?
HOP2 HOP2 H . 0 . ?
HOP3 HOP3 H . 0 . ?
stop_
loop_
_Bond_order
_Bond_atom_one_atom_name
_Bond_atom_two_atom_name
_PDB_bond_atom_one_atom_name
_PDB_bond_atom_two_atom_name
SING N CA ? ?
SING N H ? ?
SING N H2 ? ?
SING CA CB ? ?
SING CA C ? ?
SING CA HA ? ?
SING CB OG ? ?
SING CB HB2 ? ?
SING CB HB3 ? ?
SING OG P ? ?
DOUB C O ? ?
SING C OXT ? ?
SING OXT HXT ? ?
DOUB P O1P ? ?
SING P O2P ? ?
SING P O3P ? ?
SING O2P HOP2 ? ?
SING O3P HOP3 ? ?
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Strain
_Variant
_Gene_mnemonic
$FOXO1_(1-46)_protein_HN-tagged Human 9606 Eukaryota Metazoa Homo sapiens - - FOXO1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$FOXO1_(1-46)_protein_HN-tagged 'recombinant technology' . Escherichia coli 'BL21 DE3' pET24
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$FOXO1_(1-46)_protein_HN-tagged 200 uM '[U-98% 13C; U-98% 15N]'
'potassium phosphate' 20 mM 'natural abundance'
'sodium chloride' 100 mM 'natural abundance'
TCEP 1 mM 'natural abundance'
MgCl 10 mM 'natural abundance'
ATP 5 mM 'natural abundance'
DTT 1 mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CCPNMR
_Saveframe_category software
_Name CCPNMR
_Version .
loop_
_Vendor
_Address
_Electronic_address
CCPN . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 800
_Details 'w coldprobe'
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_3D_HNCA_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '3D HNCA'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
'ionic strength' 100 . mM
pH 6.7 . pH
pressure 1 . atm
temperature 293 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio
na C 13 'methyl carbon' ppm 0 external indirect . . . 1.0
na H 1 protons ppm 0 external indirect . . . 1.0
na N 15 nitrogen ppm 0 external indirect . . . 1.0
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Software_label
$CCPNMR
stop_
loop_
_Experiment_label
'3D HNCA'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'N-terminal domain of FOXO1 phosphorylated on S22'
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 14 14 ASN H H 8.293 0.006 1
2 14 14 ASN CA C 53.653 0.000 1
3 14 14 ASN CB C 38.599 0.000 1
4 14 14 ASN N N 118.690 0.061 1
5 16 16 ASN H H 8.244 0.137 1
6 16 16 ASN CA C 53.186 0.000 1
7 16 16 ASN CB C 38.627 0.000 1
8 16 16 ASN N N 119.540 0.245 1
9 17 17 LEU H H 7.893 0.007 1
10 17 17 LEU CA C 55.654 0.000 1
11 17 17 LEU CB C 38.600 0.000 1
12 17 17 LEU N N 121.727 0.072 1
13 18 18 TYR H H 7.887 0.000 1
14 18 18 TYR CA C 38.582 0.000 1
15 18 18 TYR N N 119.686 0.003 1
16 19 19 PHE H H 7.837 0.000 1
17 19 19 PHE CA C 57.856 0.000 1
18 19 19 PHE N N 121.333 0.004 1
19 20 20 GLN H H 8.148 0.000 1
20 20 20 GLN CA C 56.143 0.000 1
21 20 20 GLN CB C 29.183 0.000 1
22 20 20 GLN N N 121.928 0.013 1
23 21 21 GLY H H 7.887 0.001 1
24 21 21 GLY CA C 45.296 0.000 1
25 21 21 GLY N N 109.442 0.003 1
26 22 22 MET H H 7.967 0.001 1
27 22 22 MET CA C 55.597 0.000 1
28 22 22 MET CB C 33.047 0.000 1
29 22 22 MET N N 119.669 0.014 1
30 23 23 ALA H H 8.214 0.000 1
31 23 23 ALA CA C 52.698 0.000 1
32 23 23 ALA CB C 19.272 0.000 1
33 23 23 ALA N N 125.051 0.003 1
34 24 24 GLU H H 8.165 0.000 1
35 24 24 GLU CA C 55.986 0.000 1
36 24 24 GLU CB C 30.445 0.000 1
37 24 24 GLU N N 119.707 0.003 1
38 25 25 ALA H H 8.165 0.000 1
39 25 25 ALA CA C 50.295 0.000 1
40 25 25 ALA CB C 18.162 0.000 1
41 25 25 ALA N N 126.360 0.007 1
42 27 27 GLN CA C 57.106 0.000 1
43 27 27 GLN CB C 29.906 0.000 1
44 27 27 GLN N N 121.243 0.000 1
45 28 28 VAL H H 8.156 0.000 1
46 28 28 VAL CA C 62.441 0.000 1
47 28 28 VAL CB C 32.667 0.000 1
48 28 28 VAL N N 122.541 0.009 1
49 29 29 VAL H H 8.148 0.000 1
50 29 29 VAL CA C 62.237 0.000 1
51 29 29 VAL CB C 32.760 0.000 1
52 29 29 VAL N N 124.794 0.003 1
53 30 30 GLU H H 8.369 0.000 1
54 30 30 GLU CA C 56.144 0.000 1
55 30 30 GLU CB C 30.414 0.000 1
56 30 30 GLU N N 125.517 0.010 1
57 31 31 ILE H H 8.153 0.131 1
58 31 31 ILE CA C 60.634 0.000 1
59 31 31 ILE CB C 39.062 0.000 1
60 31 31 ILE N N 122.373 0.262 1
61 32 32 ASP H H 8.214 0.000 1
62 32 32 ASP N N 124.981 0.000 1
63 34 34 ASP H H 8.258 0.001 1
64 34 34 ASP CA C 54.351 0.000 1
65 34 34 ASP CB C 40.828 0.000 1
66 34 34 ASP N N 118.794 0.000 1
67 35 35 PHE H H 7.730 0.001 1
68 35 35 PHE CA C 58.046 0.000 1
69 35 35 PHE CB C 39.899 0.000 1
70 35 35 PHE N N 120.261 0.024 1
71 36 36 GLU H H 7.927 0.000 1
72 36 36 GLU CA C 53.644 0.000 1
73 36 36 GLU CB C 30.364 0.000 1
74 36 36 GLU N N 125.209 0.006 1
75 38 38 LEU H H 8.375 0.000 1
76 38 38 LEU CA C 51.983 0.000 1
77 38 38 LEU CB C 41.234 0.000 1
78 38 38 LEU N N 126.618 0.002 1
79 40 40 ARG H H 8.258 0.001 1
80 40 40 ARG CA C 53.959 0.000 1
81 40 40 ARG CB C 30.070 0.000 1
82 40 40 ARG N N 122.325 0.014 1
83 42 42 ARG H H 8.361 0.000 1
84 42 42 ARG CA C 56.111 0.000 1
85 42 42 ARG CB C 30.814 0.000 1
86 42 42 ARG N N 121.518 0.641 1
87 43 43 SEP H H 9.008 0.001 1
88 43 43 SEP CA C 58.123 0.000 1
89 43 43 SEP CB C 65.561 0.000 1
90 43 43 SEP N N 118.797 0.000 1
91 44 44 CYS H H 8.255 0.000 1
92 44 44 CYS CA C 58.346 0.000 1
93 44 44 CYS CB C 27.928 0.000 1
94 44 44 CYS N N 120.416 0.000 1
95 45 45 THR H H 7.936 0.000 1
96 45 45 THR CA C 61.679 0.000 1
97 45 45 THR CB C 69.634 0.000 1
98 45 45 THR N N 117.971 0.074 1
99 46 46 TRP H H 8.031 0.142 1
100 46 46 TRP CA C 54.718 0.000 1
101 46 46 TRP CB C 29.154 0.000 1
102 46 46 TRP N N 123.823 0.151 1
103 48 48 LEU H H 8.015 0.207 1
104 48 48 LEU CA C 52.935 0.074 1
105 48 48 LEU CB C 41.711 0.169 1
106 48 48 LEU N N 123.424 0.253 1
107 50 50 ARG H H 7.945 0.000 1
108 50 50 ARG N N 123.050 0.000 1
109 52 52 GLU H H 8.574 0.000 1
110 52 52 GLU CA C 56.991 0.000 1
111 52 52 GLU CB C 29.810 0.000 1
112 52 52 GLU N N 120.663 0.008 1
113 53 53 PHE H H 8.072 0.000 1
114 53 53 PHE CA C 57.317 0.000 1
115 53 53 PHE CB C 39.436 0.000 1
116 53 53 PHE N N 120.601 0.002 1
117 54 54 SER CA C 58.247 0.000 1
118 54 54 SER CB C 63.851 0.000 1
119 55 55 GLN H H 8.311 0.001 1
120 55 55 GLN CA C 55.847 0.000 1
121 55 55 GLN CB C 29.368 0.000 1
122 55 55 GLN N N 122.337 0.009 1
123 56 56 SER H H 8.240 0.001 1
124 56 56 SER CA C 58.457 0.000 1
125 56 56 SER CB C 63.698 0.000 1
126 56 56 SER N N 116.578 0.009 1
127 57 57 ASN CA C 53.161 0.000 1
128 57 57 ASN CB C 38.850 0.000 1
129 58 58 SER H H 8.177 0.000 1
130 58 58 SER CA C 58.472 0.000 1
131 58 58 SER CB C 63.748 0.000 1
132 58 58 SER N N 116.159 0.006 1
133 59 59 ALA H H 8.265 0.000 1
134 59 59 ALA CA C 52.886 0.000 1
135 59 59 ALA CB C 19.189 0.000 1
136 59 59 ALA N N 125.791 0.007 1
137 60 60 THR H H 7.981 0.000 1
138 60 60 THR CA C 61.609 0.000 1
139 60 60 THR CB C 69.628 0.000 1
140 60 60 THR N N 112.384 0.006 1
141 61 61 SER H H 8.124 0.000 1
142 61 61 SER CA C 58.321 0.000 1
143 61 61 SER CB C 63.903 0.000 1
144 61 61 SER N N 117.991 0.003 1
145 62 62 SER H H 8.238 0.001 1
146 62 62 SER CA C 56.501 0.000 1
147 62 62 SER CB C 63.366 0.000 1
148 62 62 SER N N 118.940 0.006 1
149 64 64 ALA H H 8.313 0.000 1
150 64 64 ALA CA C 50.299 0.000 1
151 64 64 ALA CB C 18.031 0.000 1
152 64 64 ALA N N 126.002 0.004 1
153 66 66 SER CA C 58.389 0.000 1
154 66 66 SER CB C 64.194 0.000 1
155 66 66 SER N N 116.220 0.010 1
156 67 67 GLY H H 7.908 0.000 1
157 67 67 GLY CA C 46.074 0.000 1
158 67 67 GLY N N 116.922 0.000 1
stop_
save_