data_4125 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The NMR Structure of 31mer RNA Domain of Escherichia Coli RNase P RNA Using Its Non-uniformly Deuterium Labelled Counterpart [the 'NMR-window' concept] ; _BMRB_accession_number 4125 _BMRB_flat_file_name bmr4125.str _Entry_type original _Submission_date 1998-03-17 _Accession_date 1998-03-17 _Entry_origination BMRB _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Glemarec C. . . 2 Kufel J. . . 3 Foldesi A. . . 4 Maltseva T. . . 5 Sandstrom A. . . 6 Kirsebom L. A. . 7 Chattopadhyaya J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1998-04-07 original BMRB . stop_ _Original_release_date 1998-03-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Glemarec, C., Kufel, J., Foldesi, A., Maltseva, T., Sandstrom, A., Kirsebom, L., Chattopadhyaya, J., "The NMR Structure of 31mer RNA Domain of Escherichia Coli RNase P RNA Using Its Non-uniformly Deuterium Labelled Counterpart [the 'NMR-window' concept]," Nucleic Acids Res. 24, 2022-2035 (1996). ; _Citation_title ; The NMR Structure of 31mer RNA Domain of Escherichia Coli RNase P RNA Using Its Non-uniformly Deuterium Labelled Counterpart [the 'NMR-window' concept] ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 96251082 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Glemarec C. . . 2 Kufel J. . . 3 Foldesi A. . . 4 Maltseva T. . . 5 Sandstrom A. . . 6 Kirsebom L. A. . 7 Chattopadhyaya J. . . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic Acids Research' _Journal_volume 24 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2022 _Page_last 2035 _Year 1996 _Details . loop_ _Keyword 'RNase P' stop_ save_ ################################## # Molecular system description # ################################## save_system_RNA_1 _Saveframe_category molecular_system _Mol_system_name 'RNAse P RNA_1' _Abbreviation_common RNA_1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 31mer_RNA_1 $31mer_RNA_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_31mer_RNA_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 31mer_RNA_1 _Abbreviation_common 31mer_RNA_1 _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 31 _Mol_residue_sequence ; GGCCAAAUAGGGGCUUCGGC CCGGGUAGGCU ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 C 4 C 5 A 6 A 7 A 8 U 9 A 10 G 11 G 12 G 13 G 14 C 15 U 16 U 17 C 18 G 19 G 20 C 21 C 22 C 23 G 24 G 25 G 26 U 27 A 28 G 29 G 30 C 31 U 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 $31mer_RNA_1 'E. coli' 562 Eubacteria . Escherichia coli 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 $31mer_RNA_1 'recombinant technology' 'E. coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $31mer_RNA_1 1 mM [U-99%-2H]-C NaHPO4 10 mM . NaCl 50 mM . EDTA 0.1 mM . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $31mer_RNA_1 1 mM . NaHPO4 10 mM . NaCl 50 mM . EDTA 0.1 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.2 . n/a temperature 299 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_one _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 . H 1 . ppm . . . . . . 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_chemical_shift_assignment_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chem_shift_reference_one _Mol_system_component_name 31mer_RNA_1 _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 . 1 G H8 H 8.20 . 1 2 . 1 G H1' H 5.91 . 1 3 . 1 G H2' H 4.99 . 1 4 . 1 G H3' H 4.72 . 1 5 . 1 G H4' H 4.62 . 1 6 . 1 G H5' H 4.48 . 2 7 . 1 G H5'' H 4.32 . 2 8 . 2 G H1 H 13.51 . 1 9 . 2 G H8 H 7.75 . 1 10 . 2 G H1' H 5.89 . 1 11 . 2 G H2' H 4.63 . 1 12 . 2 G H3' H 4.56 . 1 13 . 2 G H4' H 4.26 . 1 14 . 3 C H41 H 8.63 . 2 15 . 3 C H42 H 6.96 . 2 16 . 3 C H5 H 5.28 . 1 17 . 3 C H6 H 7.75 . 1 18 . 3 C H1' H 5.61 . 1 19 . 3 C H2' H 4.46 . 1 20 . 4 C H41 H 7.91 . 2 21 . 4 C H42 H 6.70 . 2 22 . 4 C H5 H 5.39 . 1 23 . 4 C H6 H 7.59 . 1 24 . 4 C H1' H 5.51 . 1 25 . 4 C H2' H 4.62 . 1 26 . 4 C H3' H 4.43 . 1 27 . 4 C H4' H 4.11 . 1 28 . 5 A H2 H 7.52 . 1 29 . 5 A H8 H 8.03 . 1 30 . 5 A H1' H 5.83 . 1 31 . 5 A H2' H 4.48 . 1 32 . 5 A H3' H 4.18 . 1 33 . 6 A H2 H 7.64 . 1 34 . 6 A H8 H 7.73 . 1 35 . 6 A H1' H 5.55 . 1 36 . 6 A H2' H 4.25 . 1 37 . 6 A H3' H 4.31 . 1 38 . 7 A H8 H 7.91 . 1 39 . 7 A H1' H 5.64 . 1 40 . 7 A H2' H 4.47 . 1 41 . 7 A H3' H 4.61 . 1 42 . 7 A H4' H 4.42 . 1 43 . 7 A H5' H 4.08 . 2 44 . 8 U H5 H 5.49 . 1 45 . 8 U H6 H 7.55 . 1 46 . 8 U H1' H 5.68 . 1 47 . 8 U H2' H 4.25 . 1 48 . 8 U H3' H 4.56 . 1 49 . 8 U H4' H 4.33 . 1 50 . 9 A H2 H 8.12 . 1 51 . 9 A H8 H 8.12 . 1 52 . 9 A H1' H 5.79 . 1 53 . 9 A H2' H 4.71 . 1 54 . 9 A H3' H 4.62 . 1 55 . 9 A H4' H 4.43 . 1 56 . 9 A H5' H 4.12 . 2 57 . 10 G H8 H 7.86 . 1 58 . 10 G H1' H 5.86 . 1 59 . 10 G H2' H 4.79 . 1 60 . 10 G H3' H 4.59 . 1 61 . 10 G H4' H 4.35 . 1 62 . 10 G H5' H 4.26 . 2 63 . 11 G H8 H 7.86 . 1 64 . 11 G H1' H 5.62 . 1 65 . 11 G H2' H 4.73 . 1 66 . 11 G H3' H 4.43 . 1 67 . 11 G H4' H 4.53 . 1 68 . 12 G H1 H 12.75 . 1 69 . 12 G H8 H 7.38 . 1 70 . 12 G H1' H 5.82 . 1 71 . 12 G H2' H 4.59 . 1 72 . 12 G H3' H 4.52 . 1 73 . 12 G H4' H 4.18 . 1 74 . 13 G H1 H 13.34 . 1 75 . 13 G H8 H 7.31 . 1 76 . 13 G H1' H 5.81 . 1 77 . 13 G H2' H 4.57 . 1 78 . 13 G H3' H 4.49 . 1 79 . 13 G H4' H 4.09 . 1 80 . 14 C H41 H 8.93 . 2 81 . 14 C H42 H 6.48 . 2 82 . 14 C H5 H 5.26 . 1 83 . 14 C H6 H 7.42 . 1 84 . 14 C H1' H 5.55 . 1 85 . 14 C H2' H 4.56 . 1 86 . 14 C H3' H 4.24 . 1 87 . 14 C H4' H 4.06 . 1 88 . 15 U H5 H 5.76 . 1 89 . 15 U H6 H 7.83 . 1 90 . 15 U H1' H 5.72 . 1 91 . 15 U H2' H 3.85 . 1 92 . 15 U H3' H 4.41 . 1 93 . 15 U H4' H 4.56 . 1 94 . 16 U H5 H 5.90 . 1 95 . 16 U H6 H 8.07 . 1 96 . 16 U H1' H 6.14 . 1 97 . 16 U H2' H 4.72 . 1 98 . 16 U H3' H 4.27 . 1 99 . 16 U H4' H 4.06 . 1 100 . 17 C H5 H 6.18 . 1 101 . 17 C H6 H 7.74 . 1 102 . 17 C H1' H 6.01 . 1 103 . 17 C H2' H 4.14 . 1 104 . 17 C H3' H 4.53 . 1 105 . 17 C H4' H 3.83 . 1 106 . 17 C H5' H 3.65 . 2 107 . 17 C H5'' H 3.83 . 2 108 . 18 G H1 H 9.92 . 1 109 . 18 G H8 H 7.89 . 1 110 . 18 G H1' H 6.00 . 2 111 . 18 G H2' H 4.89 . 1 112 . 18 G H3' H 5.65 . 1 113 . 18 G H4' H 4.44 . 1 114 . 18 G H5' H 4.22 . 2 115 . 18 G H5'' H 3.83 . 2 116 . 19 G H1 H 13.60 . 1 117 . 19 G H8 H 8.33 . 1 118 . 19 G H1' H 4.44 . 1 119 . 19 G H2' H 4.44 . 1 120 . 19 G H3' H 4.31 . 1 121 . 20 C H41 H 8.91 . 2 122 . 20 C H42 H 6.98 . 2 123 . 20 C H5 H 5.31 . 1 124 . 20 C H6 H 7.76 . 1 125 . 20 C H1' H 5.57 . 1 126 . 20 C H2' H 4.49 . 1 127 . 20 C H3' H 4.45 . 1 128 . 20 C H4' H 4.43 . 1 129 . 21 C H41 H 8.57 . 1 130 . 21 C H42 H 6.98 . 1 131 . 21 C H5 H 5.58 . 1 132 . 21 C H6 H 7.82 . 1 133 . 21 C H1' H 5.54 . 1 134 . 21 C H2' H 4.42 . 1 135 . 21 C H4' H 4.09 . 1 136 . 22 C H5 H 5.45 . 1 137 . 22 C H6 H 7.64 . 1 138 . 22 C H1' H 5.49 . 1 139 . 22 C H2' H 4.52 . 1 140 . 22 C H3' H 4.39 . 1 141 . 22 C H4' H 4.11 . 1 142 . 23 G H1' H 5.61 . 1 143 . 23 G H2' H 4.37 . 1 144 . 23 G H3' H 4.13 . 1 145 . 24 G H8 H 7.63 . 1 146 . 24 G H1' H 5.45 . 1 147 . 24 G H2' H 4.43 . 1 148 . 24 G H3' H 4.35 . 1 149 . 25 G H8 H 7.81 . 1 150 . 25 G H1' H 5.62 . 1 151 . 25 G H2' H 4.65 . 1 152 . 25 G H3' H 4.74 . 1 153 . 26 U H5 H 5.66 . 1 154 . 26 U H6 H 7.72 . 1 155 . 26 U H1' H 5.83 . 1 156 . 26 U H2' H 4.48 . 1 157 . 26 U H3' H 4.69 . 1 158 . 27 A H2 H 7.88 . 1 159 . 27 A H8 H 8.22 . 1 160 . 27 A H1' H 6.07 . 1 161 . 27 A H2' H 4.86 . 1 162 . 27 A H3' H 4.70 . 1 163 . 27 A H4' H 4.43 . 1 164 . 27 A H5' H 4.31 . 1 165 . 27 A H5'' H 4.31 . 1 166 . 28 G H8 H 7.70 . 1 167 . 28 G H1' H 5.20 . 1 168 . 28 G H2' H 4.63 . 1 169 . 28 G H3' H 4.48 . 1 170 . 28 G H4' H 4.40 . 1 171 . 28 G H5' H 4.20 . 1 172 . 28 G H5'' H 4.20 . 1 173 . 29 G H1 H 13.25 . 1 174 . 29 G H8 H 7.34 . 1 175 . 29 G H1' H 5.78 . 1 176 . 29 G H2' H 4.50 . 1 177 . 29 G H3' H 4.63 . 1 178 . 29 G H4' H 4.09 . 1 179 . 29 G H5' H 4.21 . 2 180 . 30 C H41 H 8.61 . 2 181 . 30 C H42 H 7.00 . 2 182 . 30 C H5 H 5.18 . 1 183 . 30 C H6 H 7.55 . 1 184 . 30 C H1' H 5.59 . 1 185 . 30 C H2' H 4.44 . 1 186 . 30 C H3' H 4.33 . 1 187 . 30 C H4' H 4.51 . 1 188 . 31 U H5 H 5.67 . 1 189 . 31 U H6 H 7.81 . 1 190 . 31 U H1' H 5.84 . 1 191 . 31 U H2' H 4.20 . 1 192 . 31 U H3' H 4.05 . 1 stop_ save_