data_20102 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; C-Terminal helix of the SERCA2b Ca2+ pump (ATP2A2B) ; _BMRB_accession_number 20102 _BMRB_flat_file_name bmr20102.str _Entry_type original _Submission_date 2009-09-11 _Accession_date 2009-09-11 _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 Vandecaetsbeek Ilse . . 2 Trekels Mieke . . 3 'De Maeyer' Marc . . 4 Ceulemans Hugo . . 5 Lescrinier Eveline . . 6 Raeymaekers Luc . . 7 Wuytack Frank . . 8 Vangheluwe Peter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-20 update BMRB 'complete entry citation' 2009-10-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural basis for the high Ca2+ affinity of the ubiquitous SERCA2b Ca2+ pump.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19846779 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vandecaetsbeek Ilse . . 2 Trekels Mieke . . 3 'De Maeyer' Marc . . 4 Ceulemans Hugo . . 5 Lescrinier Eveline . . 6 Raeymaekers Luc . . 7 Wuytack Frank . . 8 Vangheluwe Peter . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 106 _Journal_issue 44 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18533 _Page_last 18538 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name t11 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label t11 $t11 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_t11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common t11 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 20 _Mol_residue_sequence DGISWPFVLLIMPLVIWVYS loop_ _Residue_seq_code _Residue_label 1 ASP 2 GLY 3 ILE 4 SER 5 TRP 6 PRO 7 PHE 8 VAL 9 LEU 10 LEU 11 ILE 12 MET 13 PRO 14 LEU 15 VAL 16 ILE 17 TRP 18 VAL 19 TYR 20 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 DBJ BAG57266 "unnamed protein product [Homo sapiens]" 100.00 890 100.00 100.00 9.61e-05 EMBL CAA33170 "unnamed protein product [Sus scrofa]" 100.00 1042 100.00 100.00 1.10e-04 EMBL CAA34825 "unnamed protein product [Sus scrofa]" 100.00 54 100.00 100.00 5.61e-04 EMBL CAA37784 "SERCA2b isoform [Sus scrofa]" 100.00 201 100.00 100.00 2.05e-03 EMBL CAJ42045 "sarcoplasmic/endoplasmic reticulum calcium ATPase 2 [Equus caballus]" 100.00 1042 100.00 100.00 1.21e-04 EMBL CAJ42886 "sarcoplasmic/endoplasmic reticulum calcium ATPase 2 [Equus caballus]" 100.00 1042 100.00 100.00 1.21e-04 GB AAA53193 "HK1 [Homo sapiens]" 100.00 1042 100.00 100.00 1.04e-04 GB AAH35588 "ATPase, Ca++ transporting, cardiac muscle, slow twitch 2 [Homo sapiens]" 100.00 1042 100.00 100.00 1.04e-04 GB EAW97902 "ATPase, Ca++ transporting, cardiac muscle, slow twitch 2, isoform CRA_a [Homo sapiens]" 100.00 917 100.00 100.00 9.59e-05 GB EAW97905 "ATPase, Ca++ transporting, cardiac muscle, slow twitch 2, isoform CRA_d [Homo sapiens]" 100.00 507 100.00 100.00 2.28e-03 GB EAW97906 "ATPase, Ca++ transporting, cardiac muscle, slow twitch 2, isoform CRA_e [Homo sapiens]" 100.00 1042 100.00 100.00 1.04e-04 REF NP_001075234 "sarcoplasmic/endoplasmic reticulum calcium ATPase 2 [Equus caballus]" 100.00 1042 100.00 100.00 1.21e-04 REF NP_733765 "sarcoplasmic/endoplasmic reticulum calcium ATPase 2 isoform b [Homo sapiens]" 100.00 1042 100.00 100.00 1.04e-04 REF NP_999030 "sarcoplasmic/endoplasmic reticulum calcium ATPase 2 [Sus scrofa]" 100.00 1042 100.00 100.00 1.10e-04 REF XP_002798822 "PREDICTED: sarcoplasmic/endoplasmic reticulum calcium ATPase 2-like [Macaca mulatta]" 100.00 862 100.00 100.00 1.26e-04 REF XP_004276771 "PREDICTED: sarcoplasmic/endoplasmic reticulum calcium ATPase 2 isoform X1 [Orcinus orca]" 100.00 1042 100.00 100.00 1.14e-04 SP P11607 "RecName: Full=Sarcoplasmic/endoplasmic reticulum calcium ATPase 2; Short=SERCA2; Short=SR Ca(2+)-ATPase 2; AltName: Full=Calciu" 100.00 1042 100.00 100.00 1.10e-04 SP P16615 "RecName: Full=Sarcoplasmic/endoplasmic reticulum calcium ATPase 2; Short=SERCA2; Short=SR Ca(2+)-ATPase 2; AltName: Full=Calciu" 100.00 1042 100.00 100.00 1.04e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $t11 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 $t11 'recombinant technology' . . . . . 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 $t11 3 mM 'natural abundance' CDCL3 50 % 'natural abundance' DMSO 50 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'torsion angle dynamics' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Rochus Keller, Kurt W thrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details '5 mm TXI HCN Z gradient cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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 temperature 295 . K pH 7 . pH 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 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-13C HSQC' '2D 1H-1H NOESY' '2D DQF-COSY' '2D 1H-1H TOCSY' 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 t11 _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 1 1 ASP HA H 4.024 0.002 1 2 1 1 ASP HB2 H 2.945 0.002 2 3 1 1 ASP HB3 H 2.886 0.002 2 4 2 2 GLY HA2 H 2.886 0.002 2 5 3 3 ILE HA H 4.215 0.002 1 6 3 3 ILE HB H 1.869 0.002 1 7 4 4 SER H H 8.222 0.002 1 8 4 4 SER HA H 4.512 0.002 1 9 4 4 SER HB2 H 3.975 0.002 2 10 4 4 SER HB3 H 3.888 0.002 2 11 5 5 TRP H H 8.180 0.002 1 12 5 5 TRP HA H 4.638 0.002 1 13 5 5 TRP HB2 H 3.472 0.002 2 14 5 5 TRP HB3 H 3.350 0.002 2 15 5 5 TRP HD1 H 7.334 0.002 1 16 5 5 TRP HE3 H 7.446 0.002 1 17 5 5 TRP HH2 H 7.116 0.002 1 18 5 5 TRP HZ2 H 7.365 0.002 1 19 5 5 TRP HZ3 H 6.988 0.002 1 20 6 6 PRO HA H 4.023 0.002 1 21 6 6 PRO HB2 H 2.057 0.002 2 22 6 6 PRO HB3 H 1.455 0.002 2 23 6 6 PRO HD2 H 3.505 0.002 2 24 6 6 PRO HD3 H 3.107 0.002 2 25 6 6 PRO HG2 H 1.763 0.002 2 26 6 6 PRO HG3 H 1.084 0.002 2 27 7 7 PHE H H 7.359 0.002 1 28 7 7 PHE HA H 4.138 0.002 1 29 7 7 PHE HB2 H 3.205 0.002 2 30 7 7 PHE HB3 H 3.129 0.002 2 31 7 7 PHE HD1 H 7.170 0.002 3 32 7 7 PHE HD2 H 7.170 0.002 3 33 8 8 VAL H H 7.865 0.002 1 34 8 8 VAL HA H 3.533 0.002 1 35 8 8 VAL HB H 2.265 0.002 1 36 8 8 VAL HG1 H 1.091 0.002 2 37 8 8 VAL HG2 H 0.982 0.002 2 38 9 9 LEU H H 7.862 0.002 1 39 9 9 LEU HA H 4.020 0.002 1 40 9 9 LEU HB2 H 1.800 0.002 2 41 9 9 LEU HB3 H 1.538 0.002 2 42 9 9 LEU HD1 H 0.926 0.002 2 43 9 9 LEU HD2 H 0.885 0.002 2 44 10 10 LEU H H 7.505 0.002 1 45 10 10 LEU HA H 4.224 0.002 1 46 10 10 LEU HB2 H 1.832 0.002 2 47 10 10 LEU HB3 H 1.643 0.002 2 48 11 11 ILE H H 7.601 0.002 1 49 11 11 ILE HA H 4.234 0.002 1 50 11 11 ILE HB H 1.851 0.002 1 51 11 11 ILE HD1 H 0.812 0.002 1 52 11 11 ILE HG12 H 1.448 0.002 2 53 11 11 ILE HG13 H 1.328 0.002 2 54 11 11 ILE HG2 H 0.847 0.002 1 55 12 12 MET H H 8.027 0.002 1 56 12 12 MET HA H 4.403 0.002 1 57 12 12 MET HB2 H 2.356 0.002 2 58 12 12 MET HB3 H 2.091 0.002 2 59 12 12 MET HG2 H 2.628 0.002 2 60 12 12 MET HG3 H 2.628 0.002 2 61 13 13 PRO HA H 4.189 0.002 1 62 13 13 PRO HB2 H 2.336 0.002 2 63 13 13 PRO HB3 H 1.753 0.002 2 64 13 13 PRO HD2 H 3.764 0.002 2 65 13 13 PRO HD3 H 3.549 0.002 2 66 13 13 PRO HG2 H 2.213 0.002 2 67 13 13 PRO HG3 H 1.932 0.002 2 68 14 14 LEU H H 7.241 0.002 1 69 14 14 LEU HA H 4.243 0.002 1 70 14 14 LEU HB2 H 1.877 0.002 2 71 14 14 LEU HB3 H 1.759 0.002 2 72 15 15 VAL H H 7.862 0.002 1 73 15 15 VAL HA H 3.643 0.002 1 74 15 15 VAL HB H 2.406 0.002 1 75 15 15 VAL HG1 H 1.116 0.002 2 76 15 15 VAL HG2 H 1.008 0.002 2 77 16 16 ILE H H 8.237 0.002 1 78 16 16 ILE HA H 3.669 0.002 1 79 16 16 ILE HB H 1.903 0.002 1 80 16 16 ILE HD1 H 0.811 0.002 1 81 16 16 ILE HG12 H 1.698 0.002 2 82 16 16 ILE HG13 H 1.168 0.002 2 83 16 16 ILE HG2 H 0.891 0.002 1 84 17 17 TRP H H 8.158 0.002 1 85 17 17 TRP HA H 4.225 0.002 1 86 17 17 TRP HB2 H 3.561 0.002 2 87 17 17 TRP HB3 H 3.397 0.002 2 88 17 17 TRP HD1 H 7.063 0.002 1 89 17 17 TRP HE3 H 7.538 0.002 1 90 17 17 TRP HH2 H 7.046 0.002 1 91 17 17 TRP HZ2 H 7.288 0.002 1 92 17 17 TRP HZ3 H 6.955 0.002 1 93 18 18 VAL H H 8.459 0.002 1 94 18 18 VAL HA H 3.413 0.002 1 95 18 18 VAL HB H 2.041 0.002 1 96 18 18 VAL HG1 H 0.453 0.002 2 97 18 18 VAL HG2 H 1.087 0.002 2 98 19 19 TYR H H 7.977 0.002 1 99 19 19 TYR HA H 4.430 0.002 1 100 19 19 TYR HB2 H 2.826 0.002 2 101 19 19 TYR HB3 H 3.263 0.002 2 102 19 19 TYR HD1 H 7.282 0.002 3 103 19 19 TYR HD2 H 7.282 0.002 3 104 19 19 TYR HE1 H 6.665 0.002 3 105 19 19 TYR HE2 H 6.665 0.002 3 106 20 20 SER H H 8.132 0.002 1 107 20 20 SER HA H 4.447 0.002 1 108 20 20 SER HB2 H 3.990 0.002 2 109 20 20 SER HB3 H 3.990 0.002 2 stop_ save_