data_27003 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of human 4E-BP1 (fragment 44 to 87) ; _BMRB_accession_number 27003 _BMRB_flat_file_name bmr27003.str _Entry_type original _Submission_date 2017-01-19 _Accession_date 2017-01-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment of 4E-BP1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leger-Abraham Melissa . . 2 Boeszoermenyi Andras . . 3 Wagner Gerhard . . 4 Arthanari Haribabu . . 5 Sekiyama Naotaka . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 37 "13C chemical shifts" 108 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-08-02 update BMRB 'update entry citation' 2017-08-02 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26997 'human 4E-BP1 (fragment 44 to 87) (bound to mouse eIF4E)' stop_ _Original_release_date 2017-01-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (13)C, and (15)N backbone chemical shift assignments of 4E-BP144-87 and 4E-BP144-87 bound to eIF4E ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28589219 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sekiyama Naotaka . . 2 Boeszoermenyi Andras . . 3 Arthanari Haribabu . . 4 Wagner Gerhard . . 5 Leger-Abraham Melissa . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 11 _Journal_issue 2 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 187 _Page_last 191 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'human 4E-BP1 (fragment 44 to 87)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '4EBP1 44 to 87 unbound' $4EBP1_44to87_unbound stop_ _System_molecular_weight 5124.7813 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_4EBP1_44to87_unbound _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 4EBP1_44to87_unbound _Molecular_mass 5124.7813 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 47 _Mol_residue_sequence ; GEFSTTPGGTRIIYDRKFLM ECRNSPVTKTPPRDLPTIPG VTSPSSD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 GLU 3 -1 PHE 4 44 SER 5 45 THR 6 46 THR 7 47 PRO 8 48 GLY 9 49 GLY 10 50 THR 11 51 ARG 12 52 ILE 13 53 ILE 14 54 TYR 15 55 ASP 16 56 ARG 17 57 LYS 18 58 PHE 19 59 LEU 20 60 MET 21 61 GLU 22 62 CYS 23 63 ARG 24 64 ASN 25 65 SER 26 66 PRO 27 67 VAL 28 68 THR 29 69 LYS 30 70 THR 31 71 PRO 32 72 PRO 33 73 ARG 34 74 ASP 35 75 LEU 36 76 PRO 37 77 THR 38 78 ILE 39 79 PRO 40 80 GLY 41 81 VAL 42 82 THR 43 83 SER 44 84 PRO 45 85 SER 46 86 SER 47 87 ASP 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 $4EBP1_44to87_unbound 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 _Vector_name $4EBP1_44to87_unbound 'recombinant technology' . Escherichia coli 'Escherichia coli' pET30 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $4EBP1_44to87_unbound 0.25 mM 0.1 0.4 '[U-13C; U-15N]' NaH2PO4/Na2HPO4 20 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' DTT 2 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.9.0 loop_ _Vendor _Address _Electronic_address Wuthrich . . stop_ loop_ _Task 'Backbone assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_600 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . 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_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 0.07 . M pH 6.5 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251 DSS H 1 'methyl protons' ppm 0 internal indirect . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101 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 _Saveframe_category assigned_chemical_shifts _Details 'Origin xeasy file /nmr/data/Leger/4E-BP_assignment_deposition/alone/chemical_shift_alone.prot' loop_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNCACO' '3D HNCACB' 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 '4EBP1 44 to 87 unbound' _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 44 4 SER H H 8.279 . 1 2 44 4 SER C C 174.434 . 1 3 44 4 SER CA C 57.806 . 1 4 44 4 SER CB C 63.816 . 1 5 44 4 SER N N 115.973 . 1 6 45 5 THR H H 8.119 . 1 7 45 5 THR C C 174.485 . 1 8 45 5 THR CA C 61.451 . 1 9 45 5 THR CB C 69.406 . 1 10 45 5 THR N N 115.436 . 1 11 46 6 THR H H 8.105 . 1 12 46 6 THR C C 173.061 . 1 13 46 6 THR CA C 59.588 . 1 14 46 6 THR CB C 69.401 . 1 15 46 6 THR N N 118.237 . 1 16 48 8 GLY H H 8.373 . 1 17 48 8 GLY C C 174.784 . 1 18 48 8 GLY CA C 44.968 . 1 19 48 8 GLY N N 109.318 . 1 20 49 9 GLY H H 8.123 . 1 21 49 9 GLY C C 174.267 . 1 22 49 9 GLY CA C 45.008 . 1 23 49 9 GLY N N 108.616 . 1 24 50 10 THR H H 7.936 . 1 25 50 10 THR C C 174.322 . 1 26 50 10 THR CA C 61.816 . 1 27 50 10 THR CB C 69.301 . 1 28 50 10 THR N N 114.174 . 1 29 51 11 ARG H H 8.233 . 1 30 51 11 ARG C C 175.721 . 1 31 51 11 ARG CA C 55.822 . 1 32 51 11 ARG CB C 30.004 . 1 33 51 11 ARG N N 123.912 . 1 34 52 12 ILE H H 8.041 . 1 35 52 12 ILE C C 175.517 . 1 36 52 12 ILE CA C 60.803 . 1 37 52 12 ILE CB C 37.795 . 1 38 52 12 ILE N N 123.316 . 1 39 53 13 ILE H H 7.960 . 1 40 53 13 ILE C C 175.741 . 1 41 53 13 ILE CA C 60.317 . 1 42 53 13 ILE CB C 37.822 . 1 43 53 13 ILE N N 125.036 . 1 44 54 14 TYR H H 8.114 . 1 45 54 14 TYR C C 175.220 . 1 46 54 14 TYR CA C 57.523 . 1 47 54 14 TYR CB C 38.461 . 1 48 54 14 TYR N N 124.739 . 1 49 55 15 ASP H H 8.109 . 1 50 55 15 ASP C C 176.119 . 1 51 55 15 ASP CA C 53.756 . 1 52 55 15 ASP CB C 41.122 . 1 53 55 15 ASP N N 122.120 . 1 54 56 16 ARG H H 8.147 . 1 55 56 16 ARG C C 176.766 . 1 56 56 16 ARG CA C 56.875 . 1 57 56 16 ARG CB C 29.527 . 1 58 56 16 ARG N N 121.839 . 1 59 57 17 LYS H H 8.152 . 1 60 57 17 LYS C C 176.947 . 1 61 57 17 LYS CA C 57.158 . 1 62 57 17 LYS CB C 31.589 . 1 63 57 17 LYS N N 120.655 . 1 64 58 18 PHE H H 7.891 . 1 65 58 18 PHE C C 176.027 . 1 66 58 18 PHE CA C 58.090 . 1 67 58 18 PHE CB C 38.741 . 1 68 58 18 PHE N N 119.597 . 1 69 59 19 LEU H H 7.854 . 1 70 59 19 LEU C C 177.478 . 1 71 59 19 LEU CA C 55.417 . 1 72 59 19 LEU CB C 41.385 . 1 73 59 19 LEU N N 121.738 . 1 74 60 20 MET H H 7.998 . 1 75 60 20 MET C C 176.508 . 1 76 60 20 MET CA C 55.619 . 1 77 60 20 MET CB C 32.142 . 1 78 60 20 MET N N 119.640 . 1 79 61 21 GLU H H 8.140 . 1 80 61 21 GLU C C 176.559 . 1 81 61 21 GLU CA C 56.591 . 1 82 61 21 GLU CB C 29.497 . 1 83 61 21 GLU N N 121.166 . 1 84 62 22 CYS H H 8.156 . 1 85 62 22 CYS C C 174.802 . 1 86 62 22 CYS CA C 58.738 . 1 87 62 22 CYS CB C 27.657 . 1 88 62 22 CYS N N 119.957 . 1 89 63 23 ARG H H 8.208 . 1 90 63 23 ARG C C 175.997 . 1 91 63 23 ARG CA C 56.105 . 1 92 63 23 ARG CB C 29.845 . 1 93 63 23 ARG N N 122.863 . 1 94 64 24 ASN H H 8.232 . 1 95 64 24 ASN C C 174.689 . 1 96 64 24 ASN CA C 52.946 . 1 97 64 24 ASN CB C 38.690 . 1 98 64 24 ASN N N 118.968 . 1 99 65 25 SER H H 8.032 . 1 100 65 25 SER C C 172.575 . 1 101 65 25 SER CA C 56.267 . 1 102 65 25 SER CB C 63.309 . 1 103 65 25 SER N N 117.144 . 1 104 67 27 VAL H H 8.077 . 1 105 67 27 VAL C C 176.395 . 1 106 67 27 VAL CA C 62.099 . 1 107 67 27 VAL CB C 31.889 . 1 108 67 27 VAL N N 120.010 . 1 109 68 28 THR H H 8.058 . 1 110 68 28 THR C C 174.162 . 1 111 68 28 THR CA C 61.411 . 1 112 68 28 THR CB C 69.401 . 1 113 68 28 THR N N 118.339 . 1 114 69 29 LYS H H 8.239 . 1 115 69 29 LYS C C 176.222 . 1 116 69 29 LYS CA C 55.822 . 1 117 69 29 LYS CB C 32.335 . 1 118 69 29 LYS N N 124.214 . 1 119 70 30 THR H H 8.118 . 1 120 70 30 THR C C 172.268 . 1 121 70 30 THR CA C 59.710 . 1 122 70 30 THR CB C 69.378 . 1 123 70 30 THR N N 118.634 . 1 124 73 33 ARG H H 8.229 . 1 125 73 33 ARG C C 175.874 . 1 126 73 33 ARG CA C 55.700 . 1 127 73 33 ARG CB C 30.239 . 1 128 73 33 ARG N N 120.559 . 1 129 74 34 ASP H H 8.177 . 1 130 74 34 ASP C C 175.527 . 1 131 74 34 ASP CA C 53.878 . 1 132 74 34 ASP CB C 40.612 . 1 133 74 34 ASP N N 120.543 . 1 134 75 35 LEU H H 7.951 . 1 135 75 35 LEU C C 175.190 . 1 136 75 35 LEU CA C 52.703 . 1 137 75 35 LEU CB C 41.045 . 1 138 75 35 LEU N N 123.252 . 1 139 77 37 THR H H 8.099 . 1 140 77 37 THR C C 174.228 . 1 141 77 37 THR CA C 61.512 . 1 142 77 37 THR CB C 69.440 . 1 143 77 37 THR N N 114.950 . 1 144 78 38 ILE H H 8.103 . 1 145 78 38 ILE C C 174.383 . 1 146 78 38 ILE CA C 58.171 . 1 147 78 38 ILE CB C 38.016 . 1 148 78 38 ILE N N 124.979 . 1 149 80 40 GLY H H 8.301 . 1 150 80 40 GLY C C 174.025 . 1 151 80 40 GLY CA C 44.927 . 1 152 80 40 GLY N N 109.383 . 1 153 81 41 VAL H H 7.844 . 1 154 81 41 VAL C C 176.395 . 1 155 81 41 VAL CA C 62.059 . 1 156 81 41 VAL CB C 32.179 . 1 157 81 41 VAL N N 119.586 . 1 158 82 42 THR H H 8.199 . 1 159 82 42 THR C C 174.188 . 1 160 82 42 THR CA C 61.386 . 1 161 82 42 THR CB C 69.402 . 1 162 82 42 THR N N 117.936 . 1 163 83 43 SER H H 8.256 . 1 164 83 43 SER C C 172.513 . 1 165 83 43 SER CA C 56.146 . 1 166 83 43 SER CB C 63.322 . 1 167 83 43 SER N N 119.758 . 1 168 85 45 SER H H 8.143 . 1 169 85 45 SER C C 174.352 . 1 170 85 45 SER CA C 57.928 . 1 171 85 45 SER CB C 63.844 . 1 172 85 45 SER N N 117.228 . 1 173 86 46 SER H H 8.256 . 1 174 86 46 SER C C 173.300 . 1 175 86 46 SER CA C 57.968 . 1 176 86 46 SER CB C 64.043 . 1 177 86 46 SER N N 118.059 . 1 178 87 47 ASP H H 7.887 . 1 179 87 47 ASP C C 172.813 . 1 180 87 47 ASP CA C 55.844 . 1 181 87 47 ASP CB C 41.873 . 1 182 87 47 ASP N N 127.424 . 1 stop_ save_