data_27213 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RSK1 C-terminal peptide (696-735) ; _BMRB_accession_number 27213 _BMRB_flat_file_name bmr27213.str _Entry_type original _Submission_date 2017-08-10 _Accession_date 2017-08-10 _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 Gogl Gergo . . 2 Nyitray Laszlo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 35 "15N chemical shifts" 35 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-01-18 update BMRB 'update entry citation' 2017-10-31 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27214 'RSK1 phosphorylated C-terminal peptide (696-735)' stop_ _Original_release_date 2017-08-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Dynamic control of RSK complexes by phosphoswitch-based regulation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29083550 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gogl Gergo . . 2 Biri-Kovacs Beata . . 3 Poti 'Adam Levente' L. . 4 Vadaszi Henrietta . . 5 Szeder Balint . . 6 Bodor Andrea . . 7 Schlosser Gitta . . 8 Acs Andras . . 9 Turiak Lilla . . 10 Buday Laszlo . . 11 Alexa Anita . . 12 Nyitray Laszlo . . 13 Remenyi Attila . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_volume 85 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 46 _Page_last 71 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'single polypeptide chain, RSK1 C-terminal peptide (696-735)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'RSK1 peptide' $RSK1_peptide 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_RSK1_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RSK1_peptide _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 42 _Mol_residue_sequence ; GSGAMAATYSALNSSKPTPQ LKPIESSILAQRRVRKLPST TL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 GLY 4 ALA 5 MET 6 ALA 7 ALA 8 THR 9 TYR 10 SER 11 ALA 12 LEU 13 ASN 14 SER 15 SER 16 LYS 17 PRO 18 THR 19 PRO 20 GLN 21 LEU 22 LYS 23 PRO 24 ILE 25 GLU 26 SER 27 SER 28 ILE 29 LEU 30 ALA 31 GLN 32 ARG 33 ARG 34 VAL 35 ARG 36 LYS 37 LEU 38 PRO 39 SER 40 THR 41 THR 42 LEU 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 $RSK1_peptide 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 $RSK1_peptide 'recombinant technology' . Escherichia coli . petara 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 $RSK1_peptide 0.7 mM '[U-99% 13C; U-99% 15N]' HEPES 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Sparky _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.75 . 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 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '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 'RSK1 peptide' _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 4 4 ALA H H 8.225 0.02 1 2 4 4 ALA N N 123.927 0.2 1 3 5 5 MET H H 8.337 0.02 1 4 5 5 MET N N 119.595 0.2 1 5 6 6 ALA H H 8.242 0.02 1 6 6 6 ALA N N 125.3 0.2 1 7 7 7 ALA H H 8.289 0.02 1 8 7 7 ALA N N 123.291 0.2 1 9 8 8 THR H H 7.977 0.02 1 10 8 8 THR N N 112.806 0.2 1 11 9 9 TYR H H 8.158 0.02 1 12 9 9 TYR N N 122.455 0.2 1 13 10 10 SER H H 8.12 0.02 1 14 10 10 SER N N 117.853 0.2 1 15 11 11 ALA H H 8.272 0.02 1 16 11 11 ALA N N 126.285 0.2 1 17 12 12 LEU H H 8.067 0.02 1 18 12 12 LEU N N 120.218 0.2 1 19 13 13 ASN H H 8.282 0.02 1 20 13 13 ASN N N 118.86 0.2 1 21 14 14 SER H H 8.179 0.02 1 22 14 14 SER N N 115.897 0.2 1 23 15 15 SER H H 8.296 0.02 1 24 15 15 SER N N 117.742 0.2 1 25 16 16 LYS H H 8.21 0.02 1 26 16 16 LYS N N 124.061 0.2 1 27 18 18 THR H H 8.364 0.02 1 28 18 18 THR N N 117.566 0.2 1 29 20 20 GLN H H 8.466 0.02 1 30 20 20 GLN N N 120.962 0.2 1 31 21 21 LEU H H 8.299 0.02 1 32 21 21 LEU N N 124.382 0.2 1 33 22 22 LYS H H 8.331 0.02 1 34 22 22 LYS N N 123.755 0.2 1 35 24 24 ILE H H 8.28 0.02 1 36 24 24 ILE N N 121.349 0.2 1 37 25 25 GLU H H 8.51 0.02 1 38 25 25 GLU N N 125.376 0.2 1 39 26 26 SER H H 8.394 0.02 1 40 26 26 SER N N 117.099 0.2 1 41 27 27 SER H H 8.428 0.02 1 42 27 27 SER N N 118.425 0.2 1 43 28 28 ILE H H 7.98 0.02 1 44 28 28 ILE N N 122.404 0.2 1 45 29 29 LEU H H 7.99 0.02 1 46 29 29 LEU N N 123.673 0.2 1 47 30 30 ALA H H 8.058 0.02 1 48 30 30 ALA N N 122.941 0.2 1 49 31 31 GLN H H 8.042 0.02 1 50 31 31 GLN N N 117.956 0.2 1 51 32 32 ARG H H 8.106 0.02 1 52 32 32 ARG N N 120.798 0.2 1 53 33 33 ARG H H 8.159 0.02 1 54 33 33 ARG N N 121.576 0.2 1 55 34 34 VAL H H 8.072 0.02 1 56 34 34 VAL N N 121.234 0.2 1 57 35 35 ARG H H 8.341 0.02 1 58 35 35 ARG N N 125.204 0.2 1 59 36 36 LYS H H 8.363 0.02 1 60 36 36 LYS N N 123.741 0.2 1 61 37 37 LEU H H 8.368 0.02 1 62 37 37 LEU N N 125.742 0.2 1 63 39 39 SER H H 8.393 0.02 1 64 39 39 SER N N 115.721 0.2 1 65 40 40 THR H H 8.181 0.02 1 66 40 40 THR N N 115.667 0.2 1 67 41 41 THR H H 8.183 0.02 1 68 41 41 THR N N 117.099 0.2 1 69 42 42 LEU H H 7.9595 0.02 1 70 42 42 LEU N N 130.667 0.2 1 stop_ save_