data_27464 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; C-terminal tail of Protein Phosphatase 1, alpha isoform. ; _BMRB_accession_number 27464 _BMRB_flat_file_name bmr27464.str _Entry_type original _Submission_date 2018-04-23 _Accession_date 2018-04-23 _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 Bajaj Rakhi . . 2 Page Rebecca . . 3 Peti Wolfgang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 27 "13C chemical shifts" 53 "15N chemical shifts" 27 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-26 original BMRB . stop_ _Original_release_date 2018-04-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; ASPP proteins discriminate between PP1 catalytic subunits through their SH3 domain and the PP1 C-tail ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30770806 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bertran 'M Teresa' T. . 2 Mouilleron Stephane . . 3 Zhou Yanxiang . . 4 Bajaj Rakhi . . 5 Uliana Federico . . 6 Kumar 'Ganesan Senthil' S. . 7 'van Drogen' Audrey . . 8 Lee Rebecca . . 9 Banerjee Jennifer J. . 10 Hauri Simon . . 11 O'Reilly Nicola . . 12 Gstaiger Matthias . . 13 Page Rebecca . . 14 Peti Wolfgang . . 15 Tapon Nicolas . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 10 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 771 _Page_last 771 _Year 2019 _Details . loop_ _Keyword 'Protein Phosphatase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Protein Phosphatse 1 - C- terminal' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Protein phosphatse 1' $PP1_C-_ter 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_PP1_C-_ter _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PP1_C-_ter _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 34 _Mol_residue_sequence ; GAMGKNKGKYGQFSGLNPGG RPITPPRNSAKAKK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 GLY 5 LYS 6 ASN 7 LYS 8 GLY 9 LYS 10 TYR 11 GLY 12 GLN 13 PHE 14 SER 15 GLY 16 LEU 17 ASN 18 PRO 19 GLY 20 GLY 21 ARG 22 PRO 23 ILE 24 THR 25 PRO 26 PRO 27 ARG 28 ASN 29 SER 30 ALA 31 LYS 32 ALA 33 LYS 34 LYS 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 $PP1_C-_ter 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 $PP1_C-_ter 'recombinant technology' . Escherichia coli 'BL21 (De3) RIL' pET-M30-MBP 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 $PP1_C-_ter 0.4 mM '[U-99% 13C; U-99% 15N]' 'Bis-Tris pH=6.5' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance-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_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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 6.5 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 CBCA(CO)NH' '3D HNCACB' 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 'Protein phosphatse 1' _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 3 3 MET H H 8.397 0.020 1 2 3 3 MET CA C 55.364 0.3 1 3 3 3 MET CB C 32.460 0.3 1 4 3 3 MET N N 119.780 0.3 1 5 4 4 GLY H H 8.259 0.020 1 6 4 4 GLY CA C 45.159 0.3 1 7 4 4 GLY N N 110.134 0.3 1 8 5 5 LYS H H 8.030 0.020 1 9 5 5 LYS CA C 55.973 0.3 1 10 5 5 LYS CB C 32.712 0.3 1 11 5 5 LYS N N 120.423 0.3 1 12 7 7 LYS H H 8.099 0.020 1 13 7 7 LYS CA C 56.151 0.3 1 14 7 7 LYS CB C 32.664 0.3 1 15 7 7 LYS N N 120.713 0.3 1 16 8 8 GLY H H 8.215 0.020 1 17 8 8 GLY CA C 45.109 0.3 1 18 8 8 GLY N N 109.443 0.3 1 19 9 9 LYS H H 7.960 0.020 1 20 9 9 LYS CA C 56.402 0.3 1 21 9 9 LYS CB C 32.712 0.3 1 22 9 9 LYS N N 120.774 0.3 1 23 10 10 TYR H H 8.097 0.020 1 24 10 10 TYR CA C 57.684 0.3 1 25 10 10 TYR CB C 38.345 0.3 1 26 10 10 TYR N N 120.261 0.3 1 27 11 11 GLY H H 8.078 0.020 1 28 11 11 GLY CA C 45.241 0.3 1 29 11 11 GLY N N 110.382 0.3 1 30 12 12 GLN H H 8.033 0.020 1 31 12 12 GLN CA C 55.957 0.3 1 32 12 12 GLN CB C 28.929 0.3 1 33 12 12 GLN N N 119.831 0.3 1 34 13 13 PHE H H 8.220 0.020 1 35 13 13 PHE CA C 57.355 0.3 1 36 13 13 PHE CB C 39.059 0.3 1 37 13 13 PHE N N 120.787 0.3 1 38 14 14 SER H H 8.059 0.020 1 39 14 14 SER CA C 58.359 0.3 1 40 14 14 SER CB C 63.650 0.3 1 41 14 14 SER N N 117.615 0.3 1 42 15 15 GLY H H 7.819 0.020 1 43 15 15 GLY CA C 45.126 0.3 1 44 15 15 GLY N N 110.142 0.3 1 45 16 16 LEU H H 7.851 0.020 1 46 16 16 LEU CA C 54.755 0.3 1 47 16 16 LEU CB C 42.338 0.3 1 48 16 16 LEU N N 120.532 0.3 1 49 17 17 ASN H H 8.353 0.020 1 50 17 17 ASN CA C 51.216 0.3 1 51 17 17 ASN CB C 38.429 0.3 1 52 17 17 ASN N N 119.729 0.3 1 53 18 18 PRO CA C 63.840 0.3 1 54 18 18 PRO CB C 31.558 0.3 1 55 19 19 GLY H H 8.304 0.020 1 56 19 19 GLY CA C 45.126 0.3 1 57 19 19 GLY N N 108.931 0.3 1 58 20 20 GLY H H 7.982 0.020 1 59 20 20 GLY CA C 45.011 0.3 1 60 20 20 GLY N N 108.248 0.3 1 61 21 21 ARG H H 7.924 0.020 1 62 21 21 ARG CA C 53.754 0.3 1 63 21 21 ARG CB C 29.854 0.3 1 64 21 21 ARG N N 121.322 0.3 1 65 22 22 PRO CA C 62.705 0.3 1 66 22 22 PRO CB C 31.895 0.3 1 67 23 23 ILE H H 8.201 0.020 1 68 23 23 ILE CA C 60.960 0.3 1 69 23 23 ILE CB C 38.513 0.3 1 70 23 23 ILE N N 121.794 0.3 1 71 24 24 THR H H 7.876 0.020 1 72 24 24 THR CB C 70.796 0.3 1 73 24 24 THR N N 119.121 0.3 1 74 26 26 PRO CA C 62.705 0.3 1 75 26 26 PRO CB C 31.895 0.3 1 76 27 27 ARG H H 8.347 0.020 1 77 27 27 ARG CA C 56.137 0.3 1 78 27 27 ARG CB C 30.442 0.3 1 79 27 27 ARG N N 121.487 0.3 1 80 28 28 ASN H H 8.327 0.020 1 81 28 28 ASN CA C 53.191 0.3 1 82 28 28 ASN CB C 38.513 0.3 1 83 28 28 ASN N N 119.144 0.3 1 84 29 29 SER H H 8.167 0.020 1 85 29 29 SER CA C 58.392 0.3 1 86 29 29 SER CB C 63.481 0.3 1 87 29 29 SER N N 116.621 0.3 1 88 30 30 ALA H H 8.163 0.020 1 89 30 30 ALA CA C 52.493 0.3 1 90 30 30 ALA CB C 19.009 0.3 1 91 30 30 ALA N N 125.870 0.3 1 92 31 31 LYS H H 8.023 0.020 1 93 31 31 LYS CA C 55.973 0.3 1 94 31 31 LYS CB C 32.796 0.3 1 95 31 31 LYS N N 120.406 0.3 1 96 32 32 ALA H H 8.084 0.020 1 97 32 32 ALA CA C 52.240 0.3 1 98 32 32 ALA CB C 19.051 0.3 1 99 32 32 ALA N N 125.437 0.3 1 100 33 33 LYS H H 8.151 0.020 1 101 33 33 LYS CA C 56.318 0.3 1 102 33 33 LYS CB C 32.712 0.3 1 103 33 33 LYS N N 121.633 0.3 1 104 34 34 LYS H H 7.836 0.020 1 105 34 34 LYS CA C 57.621 0.3 1 106 34 34 LYS CB C 33.216 0.3 1 107 34 34 LYS N N 128.176 0.3 1 stop_ save_