data_26997 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of human 4E-BP1 (fragment 44 to 87) bound to mouse eIF4E ; _BMRB_accession_number 26997 _BMRB_flat_file_name bmr26997.str _Entry_type original _Submission_date 2017-01-18 _Accession_date 2017-01-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone assignment of 4E-BP1 bound to mouse eIF4E' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Leger-Abraham Melissa . . 2 Wagner Gerhard . . 3 Boeszoermenyi Andras . . 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" 36 "13C chemical shifts" 72 "15N chemical shifts" 36 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 27003 'human 4E-BP1 (fragment 44 to 87) (apo form)' stop_ _Original_release_date 2017-01-18 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) bound to mouse eIF4E' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'human 4E-BP1 (fragment 44 to 87)' $4E-BP1_44to87 eIF4E $eIF4E stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_4E-BP1_44to87 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 4E-BP1_44to87 _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_ save_eIF4E _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common eIF4E _Molecular_mass . _Mol_thiol_state 'all free' _Details ; The "GS" residues do not belong to the native mouse eIF4E sequence. They come from the purification tag, which were cleaved following TEV cleavage, but remained appended to the mouse eIF4E sequence. ; _Residue_count 219 _Mol_residue_sequence ; GSMATVEPETTPTTNPPPAE EEKTESNQEVANPEHYIKHP LQNRWALWFFKNDKSKTWQA NLRLISKFDTVEDFWALYNH IQLSSNLMPGCDYSLFKDGI EPMWEDEKNKRGGRWLITLN KQQRRSDLDRFWLETLLCLI GESFDDYSDDVCGAVVNVRA KGDKIAIWTTECENRDAVTH IGRVYKERLGLPPKIVIGYQ SHADTATKSGSTTKNRFVV ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 MET 4 ALA 5 THR 6 VAL 7 GLU 8 PRO 9 GLU 10 THR 11 THR 12 PRO 13 THR 14 THR 15 ASN 16 PRO 17 PRO 18 PRO 19 ALA 20 GLU 21 GLU 22 GLU 23 LYS 24 THR 25 GLU 26 SER 27 ASN 28 GLN 29 GLU 30 VAL 31 ALA 32 ASN 33 PRO 34 GLU 35 HIS 36 TYR 37 ILE 38 LYS 39 HIS 40 PRO 41 LEU 42 GLN 43 ASN 44 ARG 45 TRP 46 ALA 47 LEU 48 TRP 49 PHE 50 PHE 51 LYS 52 ASN 53 ASP 54 LYS 55 SER 56 LYS 57 THR 58 TRP 59 GLN 60 ALA 61 ASN 62 LEU 63 ARG 64 LEU 65 ILE 66 SER 67 LYS 68 PHE 69 ASP 70 THR 71 VAL 72 GLU 73 ASP 74 PHE 75 TRP 76 ALA 77 LEU 78 TYR 79 ASN 80 HIS 81 ILE 82 GLN 83 LEU 84 SER 85 SER 86 ASN 87 LEU 88 MET 89 PRO 90 GLY 91 CYS 92 ASP 93 TYR 94 SER 95 LEU 96 PHE 97 LYS 98 ASP 99 GLY 100 ILE 101 GLU 102 PRO 103 MET 104 TRP 105 GLU 106 ASP 107 GLU 108 LYS 109 ASN 110 LYS 111 ARG 112 GLY 113 GLY 114 ARG 115 TRP 116 LEU 117 ILE 118 THR 119 LEU 120 ASN 121 LYS 122 GLN 123 GLN 124 ARG 125 ARG 126 SER 127 ASP 128 LEU 129 ASP 130 ARG 131 PHE 132 TRP 133 LEU 134 GLU 135 THR 136 LEU 137 LEU 138 CYS 139 LEU 140 ILE 141 GLY 142 GLU 143 SER 144 PHE 145 ASP 146 ASP 147 TYR 148 SER 149 ASP 150 ASP 151 VAL 152 CYS 153 GLY 154 ALA 155 VAL 156 VAL 157 ASN 158 VAL 159 ARG 160 ALA 161 LYS 162 GLY 163 ASP 164 LYS 165 ILE 166 ALA 167 ILE 168 TRP 169 THR 170 THR 171 GLU 172 CYS 173 GLU 174 ASN 175 ARG 176 ASP 177 ALA 178 VAL 179 THR 180 HIS 181 ILE 182 GLY 183 ARG 184 VAL 185 TYR 186 LYS 187 GLU 188 ARG 189 LEU 190 GLY 191 LEU 192 PRO 193 PRO 194 LYS 195 ILE 196 VAL 197 ILE 198 GLY 199 TYR 200 GLN 201 SER 202 HIS 203 ALA 204 ASP 205 THR 206 ALA 207 THR 208 LYS 209 SER 210 GLY 211 SER 212 THR 213 THR 214 LYS 215 ASN 216 ARG 217 PHE 218 VAL 219 VAL 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 $4E-BP1_44to87 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 $4E-BP1_44to87 '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 $4E-BP1_44to87 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_XEASY _Saveframe_category software _Name XEASY _Version 1.9.0 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_750 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name HSQC _Sample_label $sample_1 save_ save_HNCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_1 save_ save_HNCOCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM NaH2PO4/Na2HPO4, pH 6.5, 50 mM NaCl, 2 mM DTT, 5% D2O' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.070 . M pH 6.500 . pH pressure 1.000 . atm temperature 298.000 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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/complex_with_m4E/chemical_shifts.prot' loop_ _Software_label $XEASY stop_ loop_ _Experiment_label HNCO HNCA HSQC HNCACO HNCOCA 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 'human 4E-BP1 (fragment 44 to 87)' _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 8.132 . 1 2 44 4 SER C C 174.374 . 1 3 44 4 SER CA C 57.657 . 1 4 44 4 SER N N 117.173 . 1 5 45 5 THR H H 8.156 . 1 6 45 5 THR C C 174.450 . 1 7 45 5 THR CA C 61.285 . 1 8 45 5 THR N N 115.523 . 1 9 46 6 THR H H 8.139 . 1 10 46 6 THR C C 172.934 . 1 11 46 6 THR CA C 59.411 . 1 12 46 6 THR N N 118.613 . 1 13 48 8 GLY H H 8.435 . 1 14 48 8 GLY C C 174.747 . 1 15 48 8 GLY CA C 44.880 . 1 16 48 8 GLY N N 109.550 . 1 17 49 9 GLY H H 8.173 . 1 18 49 9 GLY C C 174.219 . 1 19 49 9 GLY CA C 44.776 . 1 20 49 9 GLY N N 108.804 . 1 21 50 10 THR H H 7.977 . 1 22 50 10 THR C C 173.995 . 1 23 50 10 THR CA C 61.281 . 1 24 50 10 THR N N 113.819 . 1 25 51 11 ARG H H 8.106 . 1 26 51 11 ARG C C 175.723 . 1 27 51 11 ARG CA C 55.429 . 1 28 51 11 ARG N N 124.666 . 1 29 52 12 ILE H H 8.376 . 1 30 52 12 ILE C C 173.779 . 1 31 52 12 ILE CA C 61.881 . 1 32 52 12 ILE N N 127.129 . 1 33 53 13 ILE H H 7.226 . 1 34 53 13 ILE C C 176.023 . 1 35 53 13 ILE CA C 58.498 . 1 36 53 13 ILE N N 127.448 . 1 37 54 14 TYR H H 8.444 . 1 38 54 14 TYR C C 175.449 . 1 39 54 14 TYR CA C 55.413 . 1 40 54 14 TYR N N 121.170 . 1 41 55 15 ASP H H 8.689 . 1 42 55 15 ASP C C 175.346 . 1 43 55 15 ASP CA C 52.143 . 1 44 55 15 ASP N N 122.423 . 1 45 56 16 ARG H H 8.637 . 1 46 56 16 ARG C C 177.304 . 1 47 56 16 ARG CA C 59.760 . 1 48 56 16 ARG N N 121.205 . 1 49 57 17 LYS H H 8.143 . 1 50 57 17 LYS C C 178.886 . 1 51 57 17 LYS CA C 59.414 . 1 52 57 17 LYS N N 118.243 . 1 53 58 18 PHE H H 7.959 . 1 54 58 18 PHE C C 178.434 . 1 55 58 18 PHE CA C 60.935 . 1 56 58 18 PHE N N 120.453 . 1 57 59 19 LEU H H 7.930 . 1 58 59 19 LEU C C 180.458 . 1 59 59 19 LEU CA C 58.333 . 1 60 59 19 LEU N N 116.784 . 1 61 60 20 MET H H 8.395 . 1 62 60 20 MET C C 179.925 . 1 63 60 20 MET CA C 56.954 . 1 64 60 20 MET N N 116.193 . 1 65 61 21 GLU H H 7.993 . 1 66 61 21 GLU C C 179.330 . 1 67 61 21 GLU CA C 58.470 . 1 68 61 21 GLU N N 122.503 . 1 69 62 22 CYS H H 7.121 . 1 70 62 22 CYS C C 174.752 . 1 71 62 22 CYS CA C 61.286 . 1 72 62 22 CYS N N 114.808 . 1 73 63 23 ARG H H 6.697 . 1 74 63 23 ARG C C 175.189 . 1 75 63 23 ARG CA C 57.782 . 1 76 63 23 ARG N N 118.477 . 1 77 64 24 ASN H H 7.002 . 1 78 64 24 ASN C C 174.896 . 1 79 64 24 ASN CA C 52.494 . 1 80 64 24 ASN N N 112.134 . 1 81 65 25 SER H H 7.078 . 1 82 65 25 SER C C 175.208 . 1 83 65 25 SER CA C 55.778 . 1 84 65 25 SER N N 115.617 . 1 85 67 27 VAL H H 7.405 . 1 86 67 27 VAL C C 176.959 . 1 87 67 27 VAL CA C 63.522 . 1 88 67 27 VAL N N 115.034 . 1 89 68 28 THR H H 7.675 . 1 90 68 28 THR C C 174.929 . 1 91 68 28 THR CA C 63.038 . 1 92 68 28 THR N N 107.942 . 1 93 69 29 LYS H H 7.090 . 1 94 69 29 LYS C C 175.900 . 1 95 69 29 LYS CA C 55.780 . 1 96 69 29 LYS N N 118.083 . 1 97 70 30 THR H H 7.198 . 1 98 70 30 THR C C 171.230 . 1 99 70 30 THR CA C 58.619 . 1 100 70 30 THR N N 115.929 . 1 101 73 33 ARG H H 8.485 . 1 102 73 33 ARG C C 176.561 . 1 103 73 33 ARG CA C 56.857 . 1 104 73 33 ARG N N 122.635 . 1 105 74 34 ASP H H 8.417 . 1 106 74 34 ASP C C 175.499 . 1 107 74 34 ASP CA C 53.549 . 1 108 74 34 ASP N N 116.634 . 1 109 75 35 LEU H H 7.266 . 1 110 75 35 LEU C C 175.275 . 1 111 75 35 LEU CA C 52.968 . 1 112 75 35 LEU N N 121.449 . 1 113 77 37 THR H H 8.690 . 1 114 77 37 THR C C 173.714 . 1 115 77 37 THR CA C 61.990 . 1 116 77 37 THR N N 117.842 . 1 117 78 38 ILE H H 7.956 . 1 118 78 38 ILE C C 173.028 . 1 119 78 38 ILE CA C 57.539 . 1 120 78 38 ILE N N 127.848 . 1 121 80 40 GLY H H 8.416 . 1 122 80 40 GLY C C 173.050 . 1 123 80 40 GLY CA C 44.998 . 1 124 80 40 GLY N N 112.897 . 1 125 81 41 VAL H H 7.983 . 1 126 81 41 VAL C C 175.952 . 1 127 81 41 VAL CA C 63.869 . 1 128 81 41 VAL N N 117.822 . 1 129 82 42 THR H H 8.326 . 1 130 82 42 THR C C 173.557 . 1 131 82 42 THR CA C 60.103 . 1 132 82 42 THR N N 106.390 . 1 133 83 43 SER H H 7.742 . 1 134 83 43 SER C C 172.051 . 1 135 83 43 SER CA C 56.010 . 1 136 83 43 SER N N 117.005 . 1 137 85 45 SER H H 8.315 . 1 138 85 45 SER C C 173.321 . 1 139 85 45 SER CA C 57.656 . 1 140 85 45 SER N N 118.010 . 1 141 86 46 SER H H 7.913 . 1 142 86 46 SER C C 180.824 . 1 143 86 46 SER CA C 55.661 . 1 144 86 46 SER N N 127.376 . 1 stop_ save_