data_27336 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N-terminal domain of FOXO1 ; _BMRB_accession_number 27336 _BMRB_flat_file_name bmr27336.str _Entry_type original _Submission_date 2017-12-07 _Accession_date 2017-12-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'N-terminal domain of FOXO1 (1-45) with a N-termianl HN-tag.' 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" 44 "13C chemical shifts" 86 "15N chemical shifts" 44 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 27320 'transcription factor FOXO1' 27337 'N-terminal FOXO1 pThr24' stop_ _Original_release_date 2017-12-07 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 AMPK FOXO1 IDP regulation transcriptionfactor stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'N-terminal domain of FOXO1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'transcription factor FOXO1' $transcription_factor_FOXO1 stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_transcription_factor_FOXO1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common transcription_factor_FOXO1 _Molecular_mass . _Mol_thiol_state 'free disulfide and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 67 _Mol_residue_sequence ; MAHNHNHNHNHNHNENLYFQ GMAEAPQVVEIDPDFEPLPR PRSCTWPLPRPEFSQSNSAT 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 SER 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 . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $transcription_factor_FOXO1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $transcription_factor_FOXO1 'recombinant technology' . Escherichia coli 'BL21 (DE3)' star pEt24 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_FOXO1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $transcription_factor_FOXO1 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' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _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 $FOXO1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $FOXO1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $FOXO1 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $FOXO1 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 water C 13 protons ppm 0 na indirect . . . . water H 1 protons ppm 0 na indirect . . . 1.0 water N 15 protons ppm 0 na indirect . . . . 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 $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D HN(COCA)CB' stop_ loop_ _Sample_label $FOXO1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'transcription factor FOXO1' _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 8.304 0.021 1 2 14 14 ASN CA C 53.519 0.009 1 3 14 14 ASN CB C 38.599 0.000 1 4 14 14 ASN N N 118.769 0.109 1 5 15 15 GLU H H 8.238 0.028 1 6 15 15 GLU CA C 56.124 0.000 1 7 15 15 GLU CB C 30.425 0.000 1 8 15 15 GLU N N 120.301 0.178 1 9 16 16 ASN H H 8.278 0.036 1 10 16 16 ASN CA C 53.235 0.000 1 11 16 16 ASN CB C 38.616 0.009 1 12 16 16 ASN N N 119.618 0.164 1 13 17 17 LEU H H 7.999 0.025 1 14 17 17 LEU CA C 55.630 0.000 1 15 17 17 LEU CB C 38.573 0.000 1 16 17 17 LEU N N 121.864 0.190 1 17 18 18 TYR H H 8.072 0.028 1 18 18 18 TYR CA C 57.978 0.014 1 19 18 18 TYR CB C 38.486 0.000 1 20 18 18 TYR N N 120.189 0.023 1 21 19 19 PHE H H 7.864 0.037 1 22 19 19 PHE CA C 39.241 0.000 1 23 19 19 PHE CB C 39.236 0.000 1 24 19 19 PHE N N 121.482 0.178 1 25 20 20 GLN H H 8.265 0.030 1 26 20 20 GLN CA C 53.770 0.000 1 27 20 20 GLN CB C 29.185 0.002 1 28 20 20 GLN N N 122.082 0.154 1 29 21 21 GLY H H 7.693 0.001 1 30 21 21 GLY CA C 45.297 0.018 1 31 21 21 GLY N N 109.511 0.071 1 32 22 22 MET H H 8.110 0.012 1 33 22 22 MET CA C 55.595 0.001 1 34 22 22 MET CB C 33.342 0.027 1 35 22 22 MET N N 119.827 0.008 1 36 23 23 ALA H H 8.238 0.032 1 37 23 23 ALA CA C 52.756 0.086 1 38 23 23 ALA CB C 19.361 0.017 1 39 23 23 ALA N N 125.226 0.188 1 40 24 24 GLU H H 8.196 0.037 1 41 24 24 GLU CA C 55.986 0.000 1 42 24 24 GLU CB C 30.567 0.103 1 43 24 24 GLU N N 119.930 0.212 1 44 25 25 ALA H H 8.191 0.034 1 45 25 25 ALA CA C 50.443 0.000 1 46 25 25 ALA CB C 30.371 0.000 1 47 25 25 ALA N N 126.387 0.064 1 48 27 27 GLN H H 8.453 0.008 1 49 27 27 GLN CA C 29.596 0.000 1 50 27 27 GLN CB C 29.596 0.000 1 51 27 27 GLN N N 121.481 0.020 1 52 28 28 VAL H H 8.178 0.028 1 53 28 28 VAL CA C 62.409 0.000 1 54 28 28 VAL CB C 32.903 0.021 1 55 28 28 VAL N N 122.576 0.033 1 56 29 29 VAL H H 8.165 0.030 1 57 29 29 VAL CA C 62.205 0.042 1 58 29 29 VAL CB C 32.760 0.000 1 59 29 29 VAL N N 124.884 0.012 1 60 30 30 GLU H H 8.398 0.034 1 61 30 30 GLU CA C 56.199 0.052 1 62 30 30 GLU CB C 30.579 0.000 1 63 30 30 GLU N N 125.578 0.050 1 64 31 31 ILE H H 8.127 0.039 1 65 31 31 ILE CA C 56.260 0.000 1 66 31 31 ILE CB C 38.978 0.000 1 67 31 31 ILE N N 122.411 0.064 1 68 32 32 ASP H H 8.170 0.036 1 69 32 32 ASP CA C 55.017 0.027 1 70 32 32 ASP CB C 41.075 0.000 1 71 32 32 ASP N N 125.296 0.105 1 72 34 34 ASP H H 8.291 0.034 1 73 34 34 ASP CA C 54.481 0.000 1 74 34 34 ASP CB C 40.830 0.005 1 75 34 34 ASP N N 118.916 0.002 1 76 35 35 PHE H H 7.799 0.009 1 77 35 35 PHE CA C 58.038 0.009 1 78 35 35 PHE CB C 39.971 0.098 1 79 35 35 PHE N N 120.243 0.022 1 80 36 36 GLU H H 7.897 0.036 1 81 36 36 GLU CA C 53.663 0.019 1 82 36 36 GLU CB C 30.353 0.009 1 83 36 36 GLU N N 124.677 0.038 1 84 38 38 LEU H H 8.442 0.008 1 85 38 38 LEU CA C 51.981 0.011 1 86 38 38 LEU CB C 41.408 0.031 1 87 38 38 LEU N N 126.245 0.025 1 88 40 40 ARG H H 8.590 0.036 1 89 40 40 ARG CA C 54.257 0.028 1 90 40 40 ARG CB C 29.391 0.000 1 91 40 40 ARG N N 122.403 0.117 1 92 42 42 ARG H H 8.449 0.010 1 93 42 42 ARG CA C 56.296 0.027 1 94 42 42 ARG CB C 30.812 0.077 1 95 42 42 ARG N N 121.736 0.211 1 96 43 43 SER H H 8.339 0.015 1 97 43 43 SER CA C 58.411 0.000 1 98 43 43 SER CB C 63.711 0.058 1 99 43 43 SER N N 116.383 0.172 1 100 44 44 CYS H H 8.292 0.000 1 101 44 44 CYS CA C 58.427 0.000 1 102 44 44 CYS CB C 28.025 0.104 1 103 44 44 CYS N N 120.416 0.000 1 104 45 45 THR H H 8.975 0.002 1 105 45 45 THR CA C 61.681 0.002 1 106 45 45 THR CB C 69.644 0.000 1 107 45 45 THR N N 120.049 0.023 1 108 46 46 TRP H H 7.996 0.036 1 109 46 46 TRP CA C 55.663 0.000 1 110 46 46 TRP CB C 29.060 0.000 1 111 46 46 TRP N N 124.465 0.114 1 112 48 48 LEU H H 8.206 0.013 1 113 48 48 LEU CA C 53.059 0.042 1 114 48 48 LEU CB C 41.773 0.002 1 115 48 48 LEU N N 123.546 0.133 1 116 50 50 ARG H H 7.790 0.000 1 117 50 50 ARG CA C 41.853 0.000 1 118 50 50 ARG CB C 52.963 0.000 1 119 50 50 ARG N N 122.995 0.035 1 120 52 52 GLU H H 8.582 0.020 1 121 52 52 GLU CA C 57.194 0.000 1 122 52 52 GLU CB C 30.318 0.000 1 123 52 52 GLU N N 120.866 0.216 1 124 53 53 PHE H H 8.098 0.034 1 125 53 53 PHE CA C 57.267 0.000 1 126 53 53 PHE CB C 39.436 0.000 1 127 53 53 PHE N N 120.669 0.056 1 128 54 54 SER H H 8.051 0.076 1 129 54 54 SER CA C 58.206 0.000 1 130 54 54 SER CB C 64.133 0.000 1 131 54 54 SER N N 117.394 0.010 1 132 55 55 GLN H H 8.311 0.039 1 133 55 55 GLN CA C 55.942 0.000 1 134 55 55 GLN CB C 29.758 0.059 1 135 55 55 GLN N N 122.405 0.103 1 136 56 56 SER H H 8.319 0.000 1 137 56 56 SER CA C 58.538 0.000 1 138 56 56 SER CB C 63.926 0.018 1 139 56 56 SER N N 116.652 0.061 1 140 57 57 ASN H H 8.392 0.035 1 141 57 57 ASN CA C 53.161 0.000 1 142 57 57 ASN CB C 53.273 0.000 1 143 57 57 ASN N N 121.086 0.012 1 144 58 58 SER H H 8.178 0.001 1 145 58 58 SER CA C 58.477 0.006 1 146 58 58 SER CB C 63.723 0.036 1 147 58 58 SER N N 116.162 0.003 1 148 59 59 ALA H H 8.307 0.042 1 149 59 59 ALA CA C 52.892 0.004 1 150 59 59 ALA CB C 19.180 0.009 1 151 59 59 ALA N N 125.884 0.068 1 152 60 60 THR H H 8.006 0.030 1 153 60 60 THR CA C 61.596 0.013 1 154 60 60 THR CB C 69.854 0.016 1 155 60 60 THR N N 112.284 0.116 1 156 61 61 SER H H 8.255 0.000 1 157 61 61 SER CA C 58.317 0.004 1 158 61 61 SER CB C 63.917 0.000 1 159 61 61 SER N N 117.959 0.062 1 160 62 62 SER H H 8.272 0.039 1 161 62 62 SER CA C 56.462 0.041 1 162 62 62 SER CB C 63.436 0.085 1 163 62 62 SER N N 118.905 0.056 1 164 64 64 ALA H H 8.313 0.000 1 165 64 64 ALA CA C 50.302 0.003 1 166 64 64 ALA CB C 18.050 0.021 1 167 64 64 ALA N N 125.985 0.023 1 168 66 66 SER H H 8.332 0.027 1 169 66 66 SER CA C 58.358 0.000 1 170 66 66 SER CB C 64.412 0.000 1 171 66 66 SER N N 116.222 0.037 1 172 67 67 GLY H H 7.933 0.032 1 173 67 67 GLY CA C 46.131 0.071 1 174 67 67 GLY N N 116.965 0.103 1 stop_ save_