data_26565 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for human Notch1 Transmembrane Domain Segment. ; _BMRB_accession_number 26565 _BMRB_flat_file_name bmr26565.str _Entry_type original _Submission_date 2015-04-21 _Accession_date 2015-04-21 _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 Deatherage Catherine L. . 2 Lu Zhenwei . . 3 Kim Ji-Hun . . 4 Sanders Charles R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 46 "13C chemical shifts" 137 "15N chemical shifts" 46 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-06 original BMRB . stop_ _Original_release_date 2016-01-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Notch Transmembrane Domain: Secondary Structure and Topology ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26023825 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Deatherage Catherine L. . 2 Lu Zhenwei . . 3 Kim Ji-Hun . . 4 Sanders Charles R. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 54 _Journal_issue 23 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3565 _Page_last 3568 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Notch1 transmembrane segement' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Notch1 transmembrane segement' $Notch1 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_Notch1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Notch1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function receptor stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; MGHHHHHHVQSETVEPPPPA QLHFMYVAAAAFVLLFFVGC GVLLSRKRRRQHGQLWFPE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1713 MET 2 1714 GLY 3 1715 HIS 4 1716 HIS 5 1717 HIS 6 1718 HIS 7 1719 HIS 8 1720 HIS 9 1721 VAL 10 1722 GLN 11 1723 SER 12 1724 GLU 13 1725 THR 14 1726 VAL 15 1727 GLU 16 1728 PRO 17 1729 PRO 18 1730 PRO 19 1731 PRO 20 1732 ALA 21 1733 GLN 22 1734 LEU 23 1735 HIS 24 1736 PHE 25 1737 MET 26 1738 TYR 27 1739 VAL 28 1740 ALA 29 1741 ALA 30 1742 ALA 31 1743 ALA 32 1744 PHE 33 1745 VAL 34 1746 LEU 35 1747 LEU 36 1748 PHE 37 1749 PHE 38 1750 VAL 39 1751 GLY 40 1752 CYS 41 1753 GLY 42 1754 VAL 43 1755 LEU 44 1756 LEU 45 1757 SER 46 1758 ARG 47 1759 LYS 48 1760 ARG 49 1761 ARG 50 1762 ARG 51 1763 GLN 52 1764 HIS 53 1765 GLY 54 1766 GLN 55 1767 LEU 56 1768 TRP 57 1769 PHE 58 1770 PRO 59 1771 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 P46531 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Notch1 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 $Notch1 'recombinant technology' . Escherichia coli . pTrcHis stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Sample in 15% bicelle with a q=1/3.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Notch1 0.5 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' imidazole 500 mM 'natural abundance' DHPC 65 mM 'natural abundance' DMPC 195 mM 'natural abundance' DTT 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _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 5.5 . pH pressure 1 . atm temperature 318 . 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 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 '3D HNCO' '3D HNCACB' '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 'Notch1 transmembrane segement' _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 1720 8 HIS C C 174.2291 0.25 1 2 1720 8 HIS CA C 55.6598 0.25 1 3 1720 8 HIS CB C 29.6729 0.25 1 4 1721 9 VAL H H 8.0035 0.005 1 5 1721 9 VAL C C 175.7654 0.25 1 6 1721 9 VAL CA C 62.2113 0.25 1 7 1721 9 VAL CB C 32.9197 0.25 1 8 1721 9 VAL N N 122.2672 0.09 1 9 1722 10 GLN H H 8.3211 0.005 1 10 1722 10 GLN C C 175.7525 0.25 1 11 1722 10 GLN CA C 56.1130 0.25 1 12 1722 10 GLN CB C 29.4359 0.25 1 13 1722 10 GLN N N 124.4606 0.09 1 14 1723 11 SER H H 8.1068 0.005 1 15 1723 11 SER C C 174.2601 0.25 1 16 1723 11 SER CA C 58.4797 0.25 1 17 1723 11 SER CB C 63.8551 0.25 1 18 1723 11 SER N N 117.3477 0.09 1 19 1724 12 GLU H H 8.2855 0.005 1 20 1724 12 GLU C C 176.3393 0.25 1 21 1724 12 GLU CA C 56.6732 0.25 1 22 1724 12 GLU CB C 30.3036 0.25 1 23 1724 12 GLU N N 122.9389 0.09 1 24 1725 13 THR H H 8.0022 0.005 1 25 1725 13 THR C C 174.1499 0.25 1 26 1725 13 THR CA C 61.8790 0.25 1 27 1725 13 THR CB C 69.8853 0.25 1 28 1725 13 THR N N 115.8112 0.09 1 29 1726 14 VAL H H 7.9234 0.005 1 30 1726 14 VAL C C 175.4486 0.25 1 31 1726 14 VAL CA C 61.9496 0.25 1 32 1726 14 VAL CB C 32.9150 0.25 1 33 1726 14 VAL N N 122.8659 0.09 1 34 1727 15 GLU H H 8.1921 0.005 1 35 1727 15 GLU CA C 54.0448 0.25 1 36 1727 15 GLU CB C 29.8170 0.25 1 37 1727 15 GLU N N 126.4479 0.09 1 38 1731 19 PRO C C 177.3264 0.25 1 39 1731 19 PRO CA C 63.8753 0.25 1 40 1731 19 PRO CB C 31.8882 0.25 1 41 1732 20 ALA H H 8.2550 0.005 1 42 1732 20 ALA C C 178.6393 0.25 1 43 1732 20 ALA CA C 53.8175 0.25 1 44 1732 20 ALA CB C 19.0202 0.25 1 45 1732 20 ALA N N 122.5653 0.09 1 46 1733 21 GLN H H 8.0089 0.005 1 47 1733 21 GLN C C 176.9502 0.25 1 48 1733 21 GLN CA C 57.1714 0.25 1 49 1733 21 GLN CB C 29.0309 0.25 1 50 1733 21 GLN N N 117.7537 0.09 1 51 1734 22 LEU H H 7.7829 0.005 1 52 1734 22 LEU C C 177.4190 0.25 1 53 1734 22 LEU CA C 56.7854 0.25 1 54 1734 22 LEU CB C 42.0306 0.25 1 55 1734 22 LEU N N 120.9312 0.09 1 56 1735 23 HIS H H 8.0803 0.005 1 57 1735 23 HIS C C 176.7604 0.25 1 58 1735 23 HIS CA C 58.3900 0.25 1 59 1735 23 HIS CB C 29.3239 0.25 1 60 1735 23 HIS N N 117.7411 0.09 1 61 1736 24 PHE H H 8.1122 0.005 1 62 1736 24 PHE C C 176.8991 0.25 1 63 1736 24 PHE CA C 61.1328 0.25 1 64 1736 24 PHE CB C 38.7809 0.25 1 65 1736 24 PHE N N 119.3114 0.09 1 66 1737 25 MET H H 8.2293 0.005 1 67 1737 25 MET C C 177.7557 0.25 1 68 1737 25 MET CA C 58.8660 0.25 1 69 1737 25 MET CB C 32.1222 0.25 1 70 1737 25 MET N N 118.5353 0.09 1 71 1738 26 TYR H H 7.8404 0.005 1 72 1738 26 TYR C C 177.7948 0.25 1 73 1738 26 TYR CA C 60.4143 0.25 1 74 1738 26 TYR CB C 37.7341 0.25 1 75 1738 26 TYR N N 117.9139 0.09 1 76 1739 27 VAL H H 7.6770 0.005 1 77 1739 27 VAL C C 177.1475 0.25 1 78 1739 27 VAL CA C 66.7191 0.25 1 79 1739 27 VAL CB C 31.4246 0.25 1 80 1739 27 VAL N N 118.5196 0.09 1 81 1740 28 ALA H H 8.2165 0.005 1 82 1740 28 ALA C C 178.7659 0.25 1 83 1740 28 ALA CA C 55.3214 0.25 1 84 1740 28 ALA CB C 17.8573 0.25 1 85 1740 28 ALA N N 121.3142 0.09 1 86 1741 29 ALA H H 8.0648 0.005 1 87 1741 29 ALA C C 178.5788 0.25 1 88 1741 29 ALA CA C 55.4714 0.25 1 89 1741 29 ALA CB C 18.1537 0.25 1 90 1741 29 ALA N N 119.1342 0.09 1 91 1742 30 ALA H H 8.1860 0.005 1 92 1742 30 ALA C C 178.5853 0.25 1 93 1742 30 ALA CA C 55.5019 0.25 1 94 1742 30 ALA CB C 18.1355 0.25 1 95 1742 30 ALA N N 118.6171 0.09 1 96 1743 31 ALA H H 8.3528 0.005 1 97 1743 31 ALA C C 178.7082 0.25 1 98 1743 31 ALA CA C 55.4891 0.25 1 99 1743 31 ALA CB C 17.8649 0.25 1 100 1743 31 ALA N N 119.0190 0.09 1 101 1744 32 PHE H H 8.2685 0.005 1 102 1744 32 PHE C C 176.9921 0.25 1 103 1744 32 PHE CA C 61.8810 0.25 1 104 1744 32 PHE CB C 39.0086 0.25 1 105 1744 32 PHE N N 117.0612 0.09 1 106 1745 33 VAL H H 8.1860 0.005 1 107 1745 33 VAL C C 177.3581 0.25 1 108 1745 33 VAL CA C 67.3702 0.25 1 109 1745 33 VAL CB C 31.3113 0.25 1 110 1745 33 VAL N N 118.6171 0.09 1 111 1746 34 LEU H H 8.1538 0.005 1 112 1746 34 LEU C C 178.3724 0.25 1 113 1746 34 LEU CA C 58.8407 0.25 1 114 1746 34 LEU CB C 41.7846 0.25 1 115 1746 34 LEU N N 119.3846 0.09 1 116 1747 35 LEU H H 8.2697 0.005 1 117 1747 35 LEU CA C 58.3810 0.25 1 118 1747 35 LEU CB C 41.6400 0.25 1 119 1747 35 LEU N N 118.5962 0.09 1 120 1748 36 PHE H H 8.3536 0.005 1 121 1748 36 PHE C C 177.3252 0.25 1 122 1748 36 PHE CA C 61.8365 0.25 1 123 1748 36 PHE CB C 38.7933 0.25 1 124 1748 36 PHE N N 119.7792 0.09 1 125 1749 37 PHE H H 8.3528 0.005 1 126 1749 37 PHE C C 177.9521 0.25 1 127 1749 37 PHE CA C 62.0856 0.25 1 128 1749 37 PHE CB C 38.8039 0.25 1 129 1749 37 PHE N N 119.0190 0.09 1 130 1750 38 VAL H H 8.4780 0.005 1 131 1750 38 VAL C C 177.8393 0.25 1 132 1750 38 VAL CA C 66.9484 0.25 1 133 1750 38 VAL CB C 31.3496 0.25 1 134 1750 38 VAL N N 119.1186 0.09 1 135 1751 39 GLY H H 8.6110 0.005 1 136 1751 39 GLY C C 174.8709 0.25 1 137 1751 39 GLY CA C 47.6247 0.25 1 138 1751 39 GLY N N 107.3790 0.09 1 139 1752 40 CYS H H 8.1130 0.005 1 140 1752 40 CYS C C 176.4704 0.25 1 141 1752 40 CYS CA C 64.5269 0.25 1 142 1752 40 CYS CB C 26.8053 0.25 1 143 1752 40 CYS N N 118.8160 0.09 1 144 1753 41 GLY H H 8.1245 0.005 1 145 1753 41 GLY C C 175.3739 0.25 1 146 1753 41 GLY CA C 47.5383 0.25 1 147 1753 41 GLY N N 107.0459 0.09 1 148 1754 42 VAL H H 8.2606 0.005 1 149 1754 42 VAL C C 178.2195 0.25 1 150 1754 42 VAL CA C 66.4633 0.25 1 151 1754 42 VAL N N 121.9400 0.09 1 152 1755 43 LEU H H 7.8237 0.005 1 153 1755 43 LEU C C 179.1146 0.25 1 154 1755 43 LEU N N 120.1048 0.09 1 155 1756 44 LEU H H 8.1390 0.005 1 156 1756 44 LEU C C 178.2898 0.25 1 157 1756 44 LEU CA C 57.1246 0.25 1 158 1756 44 LEU CB C 41.9701 0.25 1 159 1756 44 LEU N N 118.1051 0.09 1 160 1757 45 SER H H 7.7272 0.005 1 161 1757 45 SER C C 175.7242 0.25 1 162 1757 45 SER CA C 60.7150 0.25 1 163 1757 45 SER CB C 63.6001 0.25 1 164 1757 45 SER N N 114.1808 0.09 1 165 1758 46 ARG H H 7.6909 0.005 1 166 1758 46 ARG C C 177.1557 0.25 1 167 1758 46 ARG CA C 57.6027 0.25 1 168 1758 46 ARG CB C 30.5127 0.25 1 169 1758 46 ARG N N 121.0586 0.09 1 170 1759 47 LYS H H 7.8237 0.005 1 171 1759 47 LYS C C 176.9984 0.25 1 172 1759 47 LYS CA C 57.3325 0.25 1 173 1759 47 LYS CB C 32.7040 0.25 1 174 1759 47 LYS N N 120.1048 0.09 1 175 1760 48 ARG H H 7.8824 0.005 1 176 1760 48 ARG C C 176.5053 0.25 1 177 1760 48 ARG CA C 56.8631 0.25 1 178 1760 48 ARG CB C 30.6437 0.25 1 179 1760 48 ARG N N 120.2304 0.09 1 180 1761 49 ARG H H 7.9693 0.005 1 181 1761 49 ARG C C 176.3997 0.25 1 182 1761 49 ARG CA C 56.7160 0.25 1 183 1761 49 ARG CB C 30.7581 0.25 1 184 1761 49 ARG N N 121.0306 0.09 1 185 1762 50 ARG H H 8.0658 0.005 1 186 1762 50 ARG C C 176.2058 0.25 1 187 1762 50 ARG CA C 56.4842 0.25 1 188 1762 50 ARG CB C 30.7609 0.25 1 189 1762 50 ARG N N 121.3536 0.09 1 190 1763 51 GLN H H 8.0891 0.005 1 191 1763 51 GLN C C 175.6810 0.25 1 192 1763 51 GLN CA C 56.1482 0.25 1 193 1763 51 GLN CB C 29.4302 0.25 1 194 1763 51 GLN N N 120.8144 0.09 1 195 1764 52 HIS H H 8.2512 0.005 1 196 1764 52 HIS C C 174.9845 0.25 1 197 1764 52 HIS CA C 55.8380 0.25 1 198 1764 52 HIS CB C 29.3982 0.25 1 199 1764 52 HIS N N 119.3142 0.09 1 200 1765 53 GLY H H 8.2682 0.005 1 201 1765 53 GLY C C 173.7442 0.25 1 202 1765 53 GLY CA C 45.5020 0.25 1 203 1765 53 GLY N N 110.0127 0.09 1 204 1766 54 GLN H H 8.0371 0.005 1 205 1766 54 GLN C C 175.5279 0.25 1 206 1766 54 GLN CA C 55.8368 0.25 1 207 1766 54 GLN CB C 29.6699 0.25 1 208 1766 54 GLN N N 119.9602 0.09 1 209 1767 55 LEU H H 8.0613 0.005 1 210 1767 55 LEU C C 176.1160 0.25 1 211 1767 55 LEU CA C 55.4128 0.25 1 212 1767 55 LEU CB C 42.5915 0.25 1 213 1767 55 LEU N N 122.5179 0.09 1 214 1768 56 TRP H H 7.7326 0.005 1 215 1768 56 TRP C C 174.5698 0.25 1 216 1768 56 TRP CA C 57.2801 0.25 1 217 1768 56 TRP CB C 29.9751 0.25 1 218 1768 56 TRP N N 120.3762 0.09 1 219 1769 57 PHE H H 7.5280 0.005 1 220 1769 57 PHE CA C 55.2301 0.25 1 221 1769 57 PHE CB C 39.6401 0.25 1 222 1769 57 PHE N N 121.2243 0.09 1 223 1770 58 PRO C C 175.5141 0.25 1 224 1770 58 PRO CA C 63.3046 0.25 1 225 1770 58 PRO CB C 31.46 0.25 1 226 1771 59 GLU H H 7.6645 0.005 1 227 1771 59 GLU CA C 57.8649 0.25 1 228 1771 59 GLU CB C 31.4557 0.25 1 229 1771 59 GLU N N 125.6644 0.09 1 stop_ save_