data_27759 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N Chemical assignment for NSL2-pep of BRMS1 ; _BMRB_accession_number 27759 _BMRB_flat_file_name bmr27759.str _Entry_type original _Submission_date 2019-01-21 _Accession_date 2019-01-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'C-terminal nuclear localization sequence of the breast cancer metastasis suppresor 1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Neira 'Jose Luis' . . 2 Pantoja-Uceda David . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 57 "15N chemical shifts" 14 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-02-13 original BMRB . stop_ _Original_release_date 2019-01-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The isolated C-terminal nuclear localization sequence of the breast cancer metastasis suppressor 1 is disordered ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30707944 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pantoja-Uceda David . . 2 Neira 'Jose Luis' . . 3 Contreras Lellys M. . 4 Manton Christa A. . 5 Welch Danny R. . 6 Rizzuti Bruno . . stop_ _Journal_abbreviation 'Arch. Biochem. Biophys.' _Journal_name_full 'Archives of Biochemistry and Biophysics' _Journal_volume 664 _Journal_issue . _Journal_ISSN 0003-9861 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 95 _Page_last 101 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NSL2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NLS2 $NLS2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'NSL2 is necessary for metastasis suppresion. NSL2 ( C-terminus of BRMS1)' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NLS2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NLS2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 16 _Mol_residue_sequence ; KARAAVSPQKRKSDGP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 LYS 2 2 ALA 3 3 ARG 4 4 ALA 5 5 ALA 6 6 VAL 7 7 SER 8 8 PRO 9 9 GLN 10 10 LYS 11 11 ARG 12 12 LYS 13 13 SER 14 14 ASP 15 15 GLY 16 16 PRO 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 $NLS2 'E. coli' 562 Bacteria . 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 $NLS2 'recombinant technology' . Escherichia coli . pET41 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 $NLS2 1.8 mM 'natural abundance' 'ammonium acetate' 50 mM 'natural abundance' TSP 1 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_ROESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H ROESY' _Sample_label $sample_1 save_ save_DOSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name DOSY _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details '80 ms mixing time' save_ save_2D_1H-1H_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details '200ms and 300ms mixing time' save_ save_2D_1H-1H_ROESY _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H ROESY' _BMRB_pulse_sequence_accession_number . _Details '300ms mixing time' save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.5 . pH pressure 1 . atm temperature 273 . 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 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.0 TSP N 15 'methyl protons' ppm 0 external indirect . . . 0.10132900 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 $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-15N HSQC' 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 NLS2 _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 1 LYS H H 8.66 0.02 1 2 1 1 LYS HA H 4.26 0.02 1 3 1 1 LYS HB2 H 1.78 0.02 2 4 1 1 LYS HG2 H 1.43 0.02 2 5 1 1 LYS N N 124.05 0.02 1 6 2 2 ALA H H 8.49 0.02 1 7 2 2 ALA HA H 4.23 0.02 1 8 2 2 ALA HB H 1.33 0.02 1 9 2 2 ALA N N 125.40 0.02 1 10 3 3 ARG H H 8.54 0.02 1 11 3 3 ARG HA H 4.28 0.02 1 12 3 3 ARG HB2 H 1.76 0.02 2 13 3 3 ARG N N 127.19 0.02 1 14 4 4 ALA H H 8.49 0.02 1 15 4 4 ALA HA H 4.32 0.02 1 16 4 4 ALA HB H 1.33 0.02 1 17 4 4 ALA N N 122.54 0.02 1 18 5 5 ALA H H 8.54 0.02 1 19 5 5 ALA HA H 4.32 0.02 1 20 5 5 ALA HB H 1.35 0.02 1 21 5 5 ALA N N 123.38 0.02 1 22 6 6 VAL H H 8.32 0.02 1 23 6 6 VAL HA H 4.11 0.02 1 24 6 6 VAL HB H 2.08 0.02 1 25 6 6 VAL HG1 H 0.91 0.02 2 26 6 6 VAL N N 120.08 0.02 1 27 7 7 SER H H 8.64 0.02 1 28 7 7 SER HA H 4.72 0.02 1 29 7 7 SER HB2 H 3.84 0.02 2 30 7 7 SER N N 121.81 0.02 1 31 8 8 PRO HA H 4.45 0.02 1 32 8 8 PRO HB2 H 2.01 0.02 2 33 8 8 PRO HG2 H 2.34 0.02 2 34 8 8 PRO HD2 H 3.72 0.02 2 35 9 9 GLN H H 8.54 0.02 1 36 9 9 GLN HA H 4.29 0.02 1 37 9 9 GLN HB2 H 1.93 0.02 2 38 9 9 GLN HG2 H 2.34 0.02 2 39 9 9 GLN HE21 H 7.00 0.02 2 40 9 9 GLN HE22 H 7.66 0.02 2 41 9 9 GLN N N 121.20 0.02 1 42 10 10 LYS H H 8.50 0.02 5 43 10 10 LYS HA H 4.29 0.02 5 44 10 10 LYS HB2 H 1.72 0.02 5 45 10 10 LYS N N 123.44 0.02 5 46 11 11 ARG H H 8.53 0.02 1 47 11 11 ARG HA H 4.36 0.02 1 48 11 11 ARG HB2 H 1.76 0.02 2 49 11 11 ARG N N 120.92 0.02 1 50 12 12 LYS H H 8.50 0.02 5 51 12 12 LYS HA H 4.27 0.02 5 52 12 12 LYS HB2 H 1.72 0.02 5 53 12 12 LYS N N 123.44 0.02 5 54 13 13 SER H H 8.50 0.02 1 55 13 13 SER HA H 4.40 0.02 1 56 13 13 SER HB2 H 3.77 0.02 2 57 13 13 SER HB3 H 3.80 0.02 2 58 13 13 SER N N 116.94 0.02 1 59 14 14 ASP H H 8.48 0.02 1 60 14 14 ASP HA H 4.72 0.02 1 61 14 14 ASP HB2 H 2.67 0.02 2 62 14 14 ASP HB3 H 2.75 0.02 2 63 14 14 ASP N N 126.13 0.02 1 64 15 15 GLY H H 8.25 0.02 1 65 15 15 GLY HA2 H 4.12 0.02 2 66 15 15 GLY N N 108.55 0.02 1 67 16 16 PRO HA H 4.43 0.02 1 68 16 16 PRO HB2 H 2.23 0.02 2 69 16 16 PRO HG2 H 2.34 0.02 2 70 16 16 PRO HD2 H 3.67 0.02 2 71 16 16 PRO HD3 H 3.88 0.02 2 stop_ loop_ _Atom_shift_assign_ID_ambiguity 42,50 43,51 44,52 45,53 stop_ save_