data_27913 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the C-terminal Fragment of a Kinesin KIF4A Variant ; _BMRB_accession_number 27913 _BMRB_flat_file_name bmr27913.str _Entry_type original _Submission_date 2019-05-15 _Accession_date 2019-05-15 _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 Wang Xinru . . 2 Peti Wolfgang . . 3 Page Rebecca . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 39 "13C chemical shifts" 76 "15N chemical shifts" 39 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-05-31 update BMRB 'update entry citation' 2020-03-17 original author 'original release' stop_ _Original_release_date 2019-05-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A dynamic charge:charge interaction modulates PP2A:B56 interactions ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32195664 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Xinru . . 2 Garvanska Dimitriya H. . 3 Nasa Isha . . 4 Ueki Yumi . . 5 Zhang Gang . . 6 Kettenbach Arminja N. . 7 Peti Wolfgang . . 8 Nilsson Jakob . . 9 Page Rebecca . . stop_ _Journal_abbreviation Elife _Journal_name_full eLife _Journal_volume 9 _Journal_issue . _Journal_ISSN 2050-084X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . loop_ _Keyword 'Intrinsically disordered' KIF4A NMR PP2A-B56 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name KIF4A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'KIF4A, A' $KIF4A 'KIF4A, B' $KIF4A stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_KIF4A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common KIF4A _Molecular_mass . _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; GHMELKHVATEYQENKAPGK KKKRALASNTSFFSGLEPIE EEPE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 HIS 3 0 MET 4 1 GLU 5 2 LEU 6 3 LYS 7 4 HIS 8 5 VAL 9 6 ALA 10 7 THR 11 8 GLU 12 9 TYR 13 10 GLN 14 11 GLU 15 12 ASN 16 13 LYS 17 14 ALA 18 15 PRO 19 16 GLY 20 17 LYS 21 18 LYS 22 19 LYS 23 20 LYS 24 21 ARG 25 22 ALA 26 23 LEU 27 24 ALA 28 25 SER 29 26 ASN 30 27 THR 31 28 SER 32 29 PHE 33 30 PHE 34 31 SER 35 32 GLY 36 33 LEU 37 34 GLU 38 35 PRO 39 36 ILE 40 37 GLU 41 38 GLU 42 39 GLU 43 40 PRO 44 41 GLU 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 UNP O95239 'Chromosome-associated kinesin KIF4A' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $KIF4A 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 _Details $KIF4A 'recombinant technology' . Escherichia coli . pTHMT 'MBP-fusion vector' 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 $KIF4A 0.1 mM '[U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $KIF4A 3 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 0.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Neo _Field_strength 600 _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_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20 mM sodium phosphate pH 6.8, 50 mM NaCl, 0.5 mM TCEP; H2O 90%; D2O 10%' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.8 . pH pressure 1 . atm temperature 283 . 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 C 13 'methyl protons' ppm 0 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0 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' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'KIF4A, A' _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 0 3 MET H H 8.308 0.009 1 2 0 3 MET CA C 52.420 0.3 1 3 0 3 MET CB C 29.771 0.3 1 4 0 3 MET N N 122.373 0.2 1 5 1 4 GLU H H 8.324 0.009 1 6 1 4 GLU CA C 53.560 0.3 1 7 1 4 GLU CB C 27.232 0.3 1 8 1 4 GLU N N 122.840 0.2 1 9 2 5 LEU H H 8.149 0.009 1 10 2 5 LEU CA C 52.130 0.3 1 11 2 5 LEU CB C 39.276 0.3 1 12 2 5 LEU N N 124.092 0.2 1 13 3 6 LYS H H 8.122 0.009 1 14 3 6 LYS CA C 53.204 0.3 1 15 3 6 LYS CB C 30.045 0.3 1 16 3 6 LYS N N 122.104 0.2 1 17 4 7 HIS H H 8.251 0.009 1 18 4 7 HIS CA C 53.076 0.3 1 19 4 7 HIS CB C 27.338 0.3 1 20 4 7 HIS N N 121.035 0.2 1 21 5 8 VAL H H 7.943 0.009 1 22 5 8 VAL CA C 59.179 0.3 1 23 5 8 VAL CB C 29.981 0.3 1 24 5 8 VAL N N 122.755 0.2 1 25 6 9 ALA H H 8.323 0.009 1 26 6 9 ALA CA C 49.662 0.3 1 27 6 9 ALA CB C 16.151 0.3 1 28 6 9 ALA N N 128.099 0.2 1 29 7 10 THR H H 7.964 0.009 1 30 7 10 THR CA C 59.389 0.3 1 31 7 10 THR CB C 66.836 0.3 1 32 7 10 THR N N 113.834 0.2 1 33 8 11 GLU H H 8.258 0.009 1 34 8 11 GLU CA C 53.687 0.3 1 35 8 11 GLU CB C 27.258 0.3 1 36 8 11 GLU N N 122.995 0.2 1 37 9 12 TYR H H 8.088 0.009 1 38 9 12 TYR CA C 55.321 0.3 1 39 9 12 TYR CB C 35.769 0.3 1 40 9 12 TYR N N 121.544 0.2 1 41 10 13 GLN H H 7.964 0.009 1 42 10 13 GLN CA C 52.490 0.3 1 43 10 13 GLN CB C 26.868 0.3 1 44 10 13 GLN N N 122.872 0.2 1 45 11 14 GLU H H 8.262 0.009 1 46 11 14 GLU CA C 53.802 0.3 1 47 11 14 GLU CB C 27.221 0.3 1 48 11 14 GLU N N 122.458 0.2 1 49 12 15 ASN H H 8.340 0.009 1 50 12 15 ASN CA C 50.430 0.3 1 51 12 15 ASN CB C 35.740 0.3 1 52 12 15 ASN N N 119.817 0.2 1 53 13 16 LYS H H 8.083 0.009 1 54 13 16 LYS CA C 52.921 0.3 1 55 13 16 LYS CB C 30.080 0.3 1 56 13 16 LYS N N 121.761 0.2 1 57 14 17 ALA H H 8.104 0.009 1 58 14 17 ALA CA C 47.623 0.3 1 59 14 17 ALA CB C 15.141 0.3 1 60 14 17 ALA N N 126.282 0.2 1 61 16 19 GLY H H 8.300 0.009 1 62 16 19 GLY CA C 42.088 0.3 1 63 16 19 GLY N N 108.951 0.2 1 64 17 20 LYS H H 8.029 0.009 1 65 17 20 LYS CA C 53.194 0.3 1 66 17 20 LYS CB C 30.189 0.3 1 67 17 20 LYS N N 120.898 0.2 1 68 18 21 LYS H H 8.280 0.009 1 69 18 21 LYS CA C 53.399 0.3 1 70 18 21 LYS CB C 30.298 0.3 1 71 18 21 LYS N N 123.530 0.2 1 72 19 22 LYS H H 8.310 0.009 1 73 19 22 LYS CA C 53.230 0.3 1 74 19 22 LYS CB C 30.266 0.3 1 75 19 22 LYS N N 123.670 0.2 1 76 20 23 LYS H H 8.236 0.009 1 77 20 23 LYS CA C 53.464 0.3 1 78 20 23 LYS CB C 30.100 0.3 1 79 20 23 LYS N N 122.935 0.2 1 80 21 24 ARG H H 8.334 0.009 1 81 21 24 ARG CA C 53.338 0.3 1 82 21 24 ARG CB C 27.985 0.3 1 83 21 24 ARG N N 123.444 0.2 1 84 22 25 ALA H H 8.279 0.009 1 85 22 25 ALA CA C 49.376 0.3 1 86 22 25 ALA CB C 16.229 0.3 1 87 22 25 ALA N N 126.089 0.2 1 88 23 26 LEU H H 8.104 0.009 1 89 23 26 LEU CA C 52.130 0.3 1 90 23 26 LEU CB C 39.443 0.3 1 91 23 26 LEU N N 121.851 0.2 1 92 24 27 ALA H H 8.182 0.009 1 93 24 27 ALA CA C 49.552 0.3 1 94 24 27 ALA CB C 16.168 0.3 1 95 24 27 ALA N N 124.822 0.2 1 96 25 28 SER H H 8.094 0.009 1 97 25 28 SER CA C 55.465 0.3 1 98 25 28 SER CB C 60.778 0.3 1 99 25 28 SER N N 114.511 0.2 1 100 26 29 ASN H H 8.284 0.009 1 101 26 29 ASN CA C 50.494 0.3 1 102 26 29 ASN CB C 35.724 0.3 1 103 26 29 ASN N N 120.441 0.2 1 104 27 30 THR H H 7.927 0.009 1 105 27 30 THR CA C 59.171 0.3 1 106 27 30 THR CB C 66.748 0.3 1 107 27 30 THR N N 113.338 0.2 1 108 28 31 SER H H 8.071 0.009 1 109 28 31 SER CA C 55.789 0.3 1 110 28 31 SER CB C 60.759 0.3 1 111 28 31 SER N N 117.738 0.2 1 112 29 32 PHE H H 7.949 0.009 1 113 29 32 PHE CA C 54.929 0.3 1 114 29 32 PHE CB C 36.573 0.3 1 115 29 32 PHE N N 121.742 0.2 1 116 30 33 PHE H H 7.978 0.009 1 117 30 33 PHE CA C 54.645 0.3 1 118 30 33 PHE CB C 36.809 0.3 1 119 30 33 PHE N N 121.761 0.2 1 120 31 34 SER H H 8.234 0.009 1 121 31 34 SER CA C 55.771 0.3 1 122 31 34 SER CB C 60.959 0.3 1 123 31 34 SER N N 118.378 0.2 1 124 32 35 GLY H H 7.705 0.009 1 125 32 35 GLY CA C 42.335 0.3 1 126 32 35 GLY N N 110.597 0.2 1 127 33 36 LEU H H 7.867 0.009 1 128 33 36 LEU CA C 51.812 0.3 1 129 33 36 LEU CB C 39.542 0.3 1 130 33 36 LEU N N 120.995 0.2 1 131 34 37 GLU H H 8.198 0.009 1 132 34 37 GLU CA C 51.618 0.3 1 133 34 37 GLU CB C 26.511 0.3 1 134 34 37 GLU N N 122.652 0.2 1 135 36 39 ILE H H 8.085 0.009 1 136 36 39 ILE CA C 57.977 0.3 1 137 36 39 ILE CB C 35.863 0.3 1 138 36 39 ILE N N 121.308 0.2 1 139 37 40 GLU H H 8.307 0.009 1 140 37 40 GLU CA C 53.207 0.3 1 141 37 40 GLU CB C 27.588 0.3 1 142 37 40 GLU N N 125.300 0.2 1 143 38 41 GLU H H 8.294 0.009 1 144 38 41 GLU CA C 53.176 0.3 1 145 38 41 GLU CB C 27.772 0.3 1 146 38 41 GLU N N 122.667 0.2 1 147 39 42 GLU H H 8.406 0.009 1 148 39 42 GLU CA C 51.319 0.3 1 149 39 42 GLU CB C 26.880 0.3 1 150 39 42 GLU N N 123.827 0.2 1 151 41 44 GLU H H 7.939 0.009 1 152 41 44 GLU CA C 55.267 0.3 1 153 41 44 GLU CB C 28.140 0.3 1 154 41 44 GLU N N 126.240 0.2 1 stop_ save_