data_25222 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Monomeric phospholamban, R14del mutant ; _BMRB_accession_number 25222 _BMRB_flat_file_name bmr25222.str _Entry_type original _Submission_date 2014-09-13 _Accession_date 2014-09-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Monomeric phospholamban (C36A, C41F, C46A), bearing naturally ocurring R14del mutation' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vostrikov Vitaly V. . 2 Soller Kailey J. . 3 Ha Kim . . 4 Gopinath Tata . . 5 Veglia Gianluigi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 49 "15N chemical shifts" 49 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-23 update BMRB 'update entry citation' 2014-09-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18256 'R state structure of monomeric phospholamban (C36A, C41F, C46A)' 18952 'Serine 16 phosphorylated phospholamban pentamer, Hybrid solution and solid-state NMR structural ensemble' stop_ _Original_release_date 2016-09-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Effects of naturally occurring arginine 14 deletion on phospholamban conformational dynamics and membrane interactions. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25251363 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vostrikov Vitaly V. . 2 Soller Kailey J. . 3 Ha Kim N. . 4 Gopinath T . . 5 Veglia Gianluigi . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1848 _Journal_issue 1 _Journal_ISSN 0006-3002 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 315 _Page_last 322 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Phospholamban _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Phospholamban $Phospholamban 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_Phospholamban _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Phospholamban _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 52 _Mol_residue_sequence ; AMEKVQYLTRSAIRASTIEM PQQARQNLQNLFINFALILI FLLLIAIIVMLL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 ALA 2 1 MET 3 2 GLU 4 3 LYS 5 4 VAL 6 5 GLN 7 6 TYR 8 7 LEU 9 8 THR 10 9 ARG 11 10 SER 12 11 ALA 13 12 ILE 14 13 ARG 15 15 ALA 16 16 SER 17 17 THR 18 18 ILE 19 19 GLU 20 20 MET 21 21 PRO 22 22 GLN 23 23 GLN 24 24 ALA 25 25 ARG 26 26 GLN 27 27 ASN 28 28 LEU 29 29 GLN 30 30 ASN 31 31 LEU 32 32 PHE 33 33 ILE 34 34 ASN 35 35 PHE 36 36 ALA 37 37 LEU 38 38 ILE 39 39 LEU 40 40 ILE 41 41 PHE 42 42 LEU 43 43 LEU 44 44 LEU 45 45 ILE 46 46 ALA 47 47 ILE 48 48 ILE 49 49 VAL 50 50 MET 51 51 LEU 52 52 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 $Phospholamban rabbit 9986 Eukaryota Metazoa Oryctolagus cuniculus 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 $Phospholamban 'recombinant technology' . Escherichia coli . pMAL-c2X 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 $Phospholamban 0.1 mM '[U-100% 15N]' DPC 300 mM [U-2H] 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 120 mM 'natural abundance' beta-mercaptoethanol 10 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 7.4 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 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 Varian _Model INOVA _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . pH 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 water H 1 protons ppm 4.7 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 external 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 Phospholamban _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 2 3 GLU H H 9.21 0.02 1 2 2 3 GLU N N 121.80 0.20 1 3 3 4 LYS H H 8.29 0.02 1 4 3 4 LYS N N 119.90 0.20 1 5 4 5 VAL H H 7.77 0.02 1 6 4 5 VAL N N 117.40 0.20 1 7 5 6 GLN H H 8.16 0.02 1 8 5 6 GLN N N 121.10 0.20 1 9 6 7 TYR H H 7.89 0.02 1 10 6 7 TYR N N 118.60 0.20 1 11 7 8 LEU H H 8.13 0.02 1 12 7 8 LEU N N 120.30 0.20 1 13 8 9 THR H H 7.85 0.02 1 14 8 9 THR N N 112.50 0.20 1 15 9 10 ARG H H 8.45 0.02 1 16 9 10 ARG N N 120.70 0.20 1 17 10 11 SER H H 8.05 0.02 1 18 10 11 SER N N 114.40 0.20 1 19 11 12 ALA H H 8.07 0.02 1 20 11 12 ALA N N 124.40 0.20 1 21 12 13 ILE H H 7.88 0.02 1 22 12 13 ILE N N 116.80 0.20 1 23 13 14 ARG H H 7.93 0.02 1 24 13 14 ARG N N 119.80 0.20 1 25 15 15 ALA H H 8.08 0.02 1 26 15 15 ALA N N 121.60 0.20 1 27 16 16 SER H H 7.86 0.02 1 28 16 16 SER N N 112.10 0.20 1 29 17 17 THR H H 7.80 0.02 1 30 17 17 THR N N 111.30 0.20 1 31 18 18 ILE H H 7.70 0.02 1 32 18 18 ILE N N 121.30 0.20 1 33 19 19 GLU H H 8.12 0.02 1 34 19 19 GLU N N 123.00 0.20 1 35 20 20 MET H H 8.32 0.02 1 36 20 20 MET N N 122.10 0.20 1 37 22 22 GLN H H 8.72 0.02 1 38 22 22 GLN N N 121.80 0.20 1 39 23 23 GLN H H 8.71 0.02 1 40 23 23 GLN N N 118.30 0.20 1 41 24 24 ALA H H 7.70 0.02 1 42 24 24 ALA N N 121.80 0.20 1 43 25 25 ARG H H 8.07 0.02 1 44 25 25 ARG N N 117.70 0.20 1 45 26 26 GLN H H 8.16 0.02 1 46 26 26 GLN N N 118.10 0.20 1 47 27 27 ASN H H 8.04 0.02 1 48 27 27 ASN N N 117.70 0.20 1 49 28 28 LEU H H 8.07 0.02 1 50 28 28 LEU N N 121.10 0.20 1 51 29 29 GLN H H 8.30 0.02 1 52 29 29 GLN N N 118.00 0.20 1 53 30 30 ASN H H 8.06 0.02 1 54 30 30 ASN N N 116.70 0.20 1 55 31 31 LEU H H 8.00 0.02 1 56 31 31 LEU N N 121.20 0.20 1 57 32 32 PHE H H 8.23 0.02 1 58 32 32 PHE N N 117.30 0.20 1 59 33 33 ILE H H 8.17 0.02 1 60 33 33 ILE N N 118.30 0.20 1 61 34 34 ASN H H 7.89 0.02 1 62 34 34 ASN N N 117.20 0.20 1 63 35 35 PHE H H 8.42 0.02 1 64 35 35 PHE N N 118.20 0.20 1 65 36 36 ALA H H 8.41 0.02 1 66 36 36 ALA N N 120.70 0.20 1 67 37 37 LEU H H 8.08 0.02 1 68 37 37 LEU N N 115.50 0.20 1 69 38 38 ILE H H 7.73 0.02 1 70 38 38 ILE N N 117.80 0.20 1 71 39 39 LEU H H 8.06 0.02 1 72 39 39 LEU N N 119.10 0.20 1 73 40 40 ILE H H 8.27 0.02 1 74 40 40 ILE N N 117.30 0.20 1 75 41 41 PHE H H 8.22 0.02 1 76 41 41 PHE N N 119.40 0.20 1 77 42 42 LEU H H 8.43 0.02 1 78 42 42 LEU N N 117.40 0.20 1 79 43 43 LEU H H 8.26 0.02 1 80 43 43 LEU N N 118.00 0.20 1 81 44 44 LEU H H 8.27 0.02 1 82 44 44 LEU N N 118.60 0.20 1 83 45 45 ILE H H 8.00 0.02 1 84 45 45 ILE N N 117.10 0.20 1 85 46 46 ALA H H 8.29 0.02 1 86 46 46 ALA N N 121.10 0.20 1 87 47 47 ILE H H 8.22 0.02 1 88 47 47 ILE N N 116.30 0.20 1 89 48 48 ILE H H 8.07 0.02 1 90 48 48 ILE N N 118.60 0.20 1 91 49 49 VAL H H 8.46 0.02 1 92 49 49 VAL N N 116.00 0.20 1 93 50 50 MET H H 8.00 0.02 1 94 50 50 MET N N 115.70 0.20 1 95 51 51 LEU H H 7.94 0.02 1 96 51 51 LEU N N 118.40 0.20 1 97 52 52 LEU H H 7.29 0.02 1 98 52 52 LEU N N 123.80 0.20 1 stop_ save_