data_52008 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52008 _Entry.Title ; human SUMO1 DeltaN19 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-06-24 _Entry.Accession_date 2023-06-24 _Entry.Last_release_date 2023-06-26 _Entry.Original_release_date 2023-06-26 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'TROSY spectrum' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Tobias Ritterhoff . . . . 52008 2 Rachel Klevit . . . . 52008 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2023-06-29 . original BMRB . 52008 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52008 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; SUMO's intrinsically disordered N-terminus is an intramolecular inhibitor of SUMO - SIM interactions ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sebastian Richter . . . . 52008 1 2 Fan Jin . . . . 52008 1 3 Tobias Ritterhoff . . . . 52008 1 4 Aleksandra Fergin . . . . 52008 1 5 Eric Maurer . . . . 52008 1 6 Andrea Frank . . . . 52008 1 7 Alex Hajnal . . . . 52008 1 8 Rachel Klevit . . . . 52008 1 9 Frauke Grater . . . . 52008 1 10 Annette Flotho . . . . 52008 1 11 Frauke Melchior . . . . 52008 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52008 _Assembly.ID 1 _Assembly.Name 'human SUMO1 deltaN19' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'human SUMO1 deltaN19' 1 $entity_1 . . yes native no no . . . 52008 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52008 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEYIKLKVIGQDSSEIHFKV KMTTHLKKLKESYCQRQGVP MNSLRFLFEGQRIADNHTPK ELGMEEEDVIEVYQEQTGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52008 1 2 . GLU . 52008 1 3 . TYR . 52008 1 4 . ILE . 52008 1 5 . LYS . 52008 1 6 . LEU . 52008 1 7 . LYS . 52008 1 8 . VAL . 52008 1 9 . ILE . 52008 1 10 . GLY . 52008 1 11 . GLN . 52008 1 12 . ASP . 52008 1 13 . SER . 52008 1 14 . SER . 52008 1 15 . GLU . 52008 1 16 . ILE . 52008 1 17 . HIS . 52008 1 18 . PHE . 52008 1 19 . LYS . 52008 1 20 . VAL . 52008 1 21 . LYS . 52008 1 22 . MET . 52008 1 23 . THR . 52008 1 24 . THR . 52008 1 25 . HIS . 52008 1 26 . LEU . 52008 1 27 . LYS . 52008 1 28 . LYS . 52008 1 29 . LEU . 52008 1 30 . LYS . 52008 1 31 . GLU . 52008 1 32 . SER . 52008 1 33 . TYR . 52008 1 34 . CYS . 52008 1 35 . GLN . 52008 1 36 . ARG . 52008 1 37 . GLN . 52008 1 38 . GLY . 52008 1 39 . VAL . 52008 1 40 . PRO . 52008 1 41 . MET . 52008 1 42 . ASN . 52008 1 43 . SER . 52008 1 44 . LEU . 52008 1 45 . ARG . 52008 1 46 . PHE . 52008 1 47 . LEU . 52008 1 48 . PHE . 52008 1 49 . GLU . 52008 1 50 . GLY . 52008 1 51 . GLN . 52008 1 52 . ARG . 52008 1 53 . ILE . 52008 1 54 . ALA . 52008 1 55 . ASP . 52008 1 56 . ASN . 52008 1 57 . HIS . 52008 1 58 . THR . 52008 1 59 . PRO . 52008 1 60 . LYS . 52008 1 61 . GLU . 52008 1 62 . LEU . 52008 1 63 . GLY . 52008 1 64 . MET . 52008 1 65 . GLU . 52008 1 66 . GLU . 52008 1 67 . GLU . 52008 1 68 . ASP . 52008 1 69 . VAL . 52008 1 70 . ILE . 52008 1 71 . GLU . 52008 1 72 . VAL . 52008 1 73 . TYR . 52008 1 74 . GLN . 52008 1 75 . GLU . 52008 1 76 . GLN . 52008 1 77 . THR . 52008 1 78 . GLY . 52008 1 79 . GLY . 52008 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52008 1 . GLU 2 2 52008 1 . TYR 3 3 52008 1 . ILE 4 4 52008 1 . LYS 5 5 52008 1 . LEU 6 6 52008 1 . LYS 7 7 52008 1 . VAL 8 8 52008 1 . ILE 9 9 52008 1 . GLY 10 10 52008 1 . GLN 11 11 52008 1 . ASP 12 12 52008 1 . SER 13 13 52008 1 . SER 14 14 52008 1 . GLU 15 15 52008 1 . ILE 16 16 52008 1 . HIS 17 17 52008 1 . PHE 18 18 52008 1 . LYS 19 19 52008 1 . VAL 20 20 52008 1 . LYS 21 21 52008 1 . MET 22 22 52008 1 . THR 23 23 52008 1 . THR 24 24 52008 1 . HIS 25 25 52008 1 . LEU 26 26 52008 1 . LYS 27 27 52008 1 . LYS 28 28 52008 1 . LEU 29 29 52008 1 . LYS 30 30 52008 1 . GLU 31 31 52008 1 . SER 32 32 52008 1 . TYR 33 33 52008 1 . CYS 34 34 52008 1 . GLN 35 35 52008 1 . ARG 36 36 52008 1 . GLN 37 37 52008 1 . GLY 38 38 52008 1 . VAL 39 39 52008 1 . PRO 40 40 52008 1 . MET 41 41 52008 1 . ASN 42 42 52008 1 . SER 43 43 52008 1 . LEU 44 44 52008 1 . ARG 45 45 52008 1 . PHE 46 46 52008 1 . LEU 47 47 52008 1 . PHE 48 48 52008 1 . GLU 49 49 52008 1 . GLY 50 50 52008 1 . GLN 51 51 52008 1 . ARG 52 52 52008 1 . ILE 53 53 52008 1 . ALA 54 54 52008 1 . ASP 55 55 52008 1 . ASN 56 56 52008 1 . HIS 57 57 52008 1 . THR 58 58 52008 1 . PRO 59 59 52008 1 . LYS 60 60 52008 1 . GLU 61 61 52008 1 . LEU 62 62 52008 1 . GLY 63 63 52008 1 . MET 64 64 52008 1 . GLU 65 65 52008 1 . GLU 66 66 52008 1 . GLU 67 67 52008 1 . ASP 68 68 52008 1 . VAL 69 69 52008 1 . ILE 70 70 52008 1 . GLU 71 71 52008 1 . VAL 72 72 52008 1 . TYR 73 73 52008 1 . GLN 74 74 52008 1 . GLU 75 75 52008 1 . GLN 76 76 52008 1 . THR 77 77 52008 1 . GLY 78 78 52008 1 . GLY 79 79 52008 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52008 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52008 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52008 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 52008 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52008 _Sample.ID 1 _Sample.Name 'human SUMO1 deltaN19' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'human SUMO1 deltaN19' '[U-99% 15N]' . . 1 $entity_1 . . 700 . . uM . . . . 52008 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52008 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52008 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52008 _Sample_condition_list.ID 1 _Sample_condition_list.Name PBS295K _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 52008 1 pH 7.0 . pH 52008 1 pressure 1 . atm 52008 1 temperature 295 . K 52008 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52008 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52008 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52008 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '500 MHz Bruker Avance II' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52008 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52008 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N TROSY' 15NSUMO1_DeltaN19.nv . 'Time-domain (raw spectral data)' . . 52008 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52008 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chem_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 . . . . . . . . . . . . . . . . 52008 1 N 15 . . . . . . . . . . . . . . . . 52008 1 stop_ save_