data_26939 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Iminoproton chemical shifts of ASH1 E3 42mer RNA stem-loop ; _BMRB_accession_number 26939 _BMRB_flat_file_name bmr26939.str _Entry_type original _Submission_date 2016-11-09 _Accession_date 2016-11-09 _Entry_origination author _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 Schlundt Andreas . . 2 Sattler Michael . . 3 Edelmann Franziska T. . 4 Niessing Dierk . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 16 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-13 update BMRB 'update entry citation' 2016-12-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26938 ASH1-mRNA stop_ _Original_release_date 2016-11-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular architecture and dynamics of ASH1 mRNA recognition by its mRNA-transport complex ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28092367 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Edelmann Franziska T. . 2 Schlundt Andreas . . 3 Heym Roland G. . 4 Jenner Andreas . . 5 Niedner-Boblenz Annika . . 6 Syed Muhammad I. . 7 Paillart Jean-Christophe . . 8 Stehle Ralf . . 9 Janowski Robert . . 10 Sattler Michael . . 11 Jansen Ralf-Peter . . 12 Niessing Dierk . . stop_ _Journal_abbreviation 'Nat. Struct. Biol.' _Journal_volume 24 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 152 _Page_last 161 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ASH1-mRNA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ASH1-mRNA E3 42mer stem-loop' $ASH1-E3_42mer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ASH1-E3_42mer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common ASH1-E3_42mer _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; GAUAACUGAAUCGCUAAGGA UGAAAGUCUAUGCGACAUUA UC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1774 G 2 1775 A 3 1776 U 4 1777 A 5 1778 A 6 1779 C 7 1780 U 8 1781 G 9 1782 A 10 1783 A 11 1784 U 12 1785 C 13 1786 G 14 1787 C 15 1788 U 16 1789 A 17 1790 A 18 1791 G 19 1792 G 20 1793 A 21 1794 U 22 1795 G 23 1796 A 24 1797 A 25 1798 A 26 1799 G 27 1800 U 28 1801 C 29 1802 U 30 1803 A 31 1804 U 32 1805 G 33 1806 C 34 1807 G 35 1808 A 36 1809 C 37 1810 A 38 1811 U 39 1812 U 40 1813 A 41 1814 U 42 1815 C 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 PDB 5MOH . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ASH1-E3_42mer "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $ASH1-E3_42mer 'cell free synthesis' . Saccharomyces cerevisiae . 'PCR product' 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 $ASH1-E3_42mer 200 uM 'natural abundance' HEPES 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'magnesium chloride' 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . CCPN . . stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details Cryoprobe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _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' 0.15 . M pH 7.5 . pH pressure 1 . atm temperature 278 . 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1 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_ _Experiment_label '2D 1H-1H NOESY' 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 'ASH1-mRNA E3 42mer stem-loop' _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 1774 1 G H1 H 12.234 0.009 1 2 1776 3 U H3 H 13.018 0.018 1 3 1781 8 G H1 H 10.140 0.007 1 4 1786 13 G H1 H 11.768 0.003 1 5 1791 18 G H1 H 10.963 0.010 1 6 1792 19 G H1 H 12.036 0.009 1 7 1794 21 U H3 H 10.955 0.006 1 8 1795 22 G H1 H 10.588 0.005 1 9 1799 26 G H1 H 11.181 0.006 1 10 1800 27 U H3 H 13.991 0.003 1 11 1802 29 U H3 H 11.186 0.003 1 12 1805 32 G H1 H 12.540 0.041 1 13 1807 34 G H1 H 12.488 0.003 1 14 1811 38 U H3 H 13.093 0.000 1 15 1812 39 U H3 H 13.960 0.016 1 16 1814 41 U H3 H 13.792 0.026 1 stop_ save_