data_18406 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solid-state NMR sequential assignments of Sup35NM ; _BMRB_accession_number 18406 _BMRB_flat_file_name bmr18406.str _Entry_type original _Submission_date 2012-04-19 _Accession_date 2012-04-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solid-state NMR sequential assignments of the Sup35NM fibrillar core.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schuetz Anne K. . 2 Luckgei Nina T. . 3 Habenstein Birgit . . 4 Meier Beat H. . 5 Boeckmann Anja . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 85 "15N chemical shifts" 31 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15379 'solution Sup35 NM' 17473 'chimeric sup35 prion' 18407 'solid state Sup35p' stop_ _Original_release_date 2014-02-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solid-state NMR sequential assignments of the amyloid core of Sup35pNM' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23934139 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Luckgei Nina T. . 2 Schuetz Anne K. . 3 Habenstein Birgit . . 4 Bousset Luc K. . 5 Sourigues Yannick . . 6 Melki Ronald K. . 7 Meier Beat H. . 8 Boeckmann Anja . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Sup35NM _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Sup35NM $Sup35NM stop_ _System_molecular_weight 61371.6064 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sup35NM _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sup35NM _Molecular_mass 30685.8032 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 273 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MSDSNQGNNQQNYQQYSQNG NQQQGNNRYQGYQAYNAQAQ PAGGYYQNYQGYSGYQQGGY QQYNPDAGYQQQYNPQGGYQ QYNPQGGYQQQFNPQGGRGN YKNFNYNNNLQGYQAGFQPQ SQGMSLNDFQKQQKQAAPKP KKTLKLVSSSGIKLANATKK VGTKPAESDKKEEEKSAETK EPTKEPTKVEEPVKKEEKPV QTEEKTEEKSELPKVEDLKI SESTHNTNNANVTSADALIK EQEEEVDDEVVND ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 MET 2 -19 GLY 3 -18 SER 4 -17 SER 5 -16 HIS 6 -15 HIS 7 -14 HIS 8 -13 HIS 9 -12 HIS 10 -11 HIS 11 -10 SER 12 -9 SER 13 -8 GLY 14 -7 LEU 15 -6 VAL 16 -5 PRO 17 -4 ARG 18 -3 GLY 19 -2 SER 20 -1 HIS 21 1 MET 22 2 SER 23 3 ASP 24 4 SER 25 5 ASN 26 6 GLN 27 7 GLY 28 8 ASN 29 9 ASN 30 10 GLN 31 11 GLN 32 12 ASN 33 13 TYR 34 14 GLN 35 15 GLN 36 16 TYR 37 17 SER 38 18 GLN 39 19 ASN 40 20 GLY 41 21 ASN 42 22 GLN 43 23 GLN 44 24 GLN 45 25 GLY 46 26 ASN 47 27 ASN 48 28 ARG 49 29 TYR 50 30 GLN 51 31 GLY 52 32 TYR 53 33 GLN 54 34 ALA 55 35 TYR 56 36 ASN 57 37 ALA 58 38 GLN 59 39 ALA 60 40 GLN 61 41 PRO 62 42 ALA 63 43 GLY 64 44 GLY 65 45 TYR 66 46 TYR 67 47 GLN 68 48 ASN 69 49 TYR 70 50 GLN 71 51 GLY 72 52 TYR 73 53 SER 74 54 GLY 75 55 TYR 76 56 GLN 77 57 GLN 78 58 GLY 79 59 GLY 80 60 TYR 81 61 GLN 82 62 GLN 83 63 TYR 84 64 ASN 85 65 PRO 86 66 ASP 87 67 ALA 88 68 GLY 89 69 TYR 90 70 GLN 91 71 GLN 92 72 GLN 93 73 TYR 94 74 ASN 95 75 PRO 96 76 GLN 97 77 GLY 98 78 GLY 99 79 TYR 100 80 GLN 101 81 GLN 102 82 TYR 103 83 ASN 104 84 PRO 105 85 GLN 106 86 GLY 107 87 GLY 108 88 TYR 109 89 GLN 110 90 GLN 111 91 GLN 112 92 PHE 113 93 ASN 114 94 PRO 115 95 GLN 116 96 GLY 117 97 GLY 118 98 ARG 119 99 GLY 120 100 ASN 121 101 TYR 122 102 LYS 123 103 ASN 124 104 PHE 125 105 ASN 126 106 TYR 127 107 ASN 128 108 ASN 129 109 ASN 130 110 LEU 131 111 GLN 132 112 GLY 133 113 TYR 134 114 GLN 135 115 ALA 136 116 GLY 137 117 PHE 138 118 GLN 139 119 PRO 140 120 GLN 141 121 SER 142 122 GLN 143 123 GLY 144 124 MET 145 125 SER 146 126 LEU 147 127 ASN 148 128 ASP 149 129 PHE 150 130 GLN 151 131 LYS 152 132 GLN 153 133 GLN 154 134 LYS 155 135 GLN 156 136 ALA 157 137 ALA 158 138 PRO 159 139 LYS 160 140 PRO 161 141 LYS 162 142 LYS 163 143 THR 164 144 LEU 165 145 LYS 166 146 LEU 167 147 VAL 168 148 SER 169 149 SER 170 150 SER 171 151 GLY 172 152 ILE 173 153 LYS 174 154 LEU 175 155 ALA 176 156 ASN 177 157 ALA 178 158 THR 179 159 LYS 180 160 LYS 181 161 VAL 182 162 GLY 183 163 THR 184 164 LYS 185 165 PRO 186 166 ALA 187 167 GLU 188 168 SER 189 169 ASP 190 170 LYS 191 171 LYS 192 172 GLU 193 173 GLU 194 174 GLU 195 175 LYS 196 176 SER 197 177 ALA 198 178 GLU 199 179 THR 200 180 LYS 201 181 GLU 202 182 PRO 203 183 THR 204 184 LYS 205 185 GLU 206 186 PRO 207 187 THR 208 188 LYS 209 189 VAL 210 190 GLU 211 191 GLU 212 192 PRO 213 193 VAL 214 194 LYS 215 195 LYS 216 196 GLU 217 197 GLU 218 198 LYS 219 199 PRO 220 200 VAL 221 201 GLN 222 202 THR 223 203 GLU 224 204 GLU 225 205 LYS 226 206 THR 227 207 GLU 228 208 GLU 229 209 LYS 230 210 SER 231 211 GLU 232 212 LEU 233 213 PRO 234 214 LYS 235 215 VAL 236 216 GLU 237 217 ASP 238 218 LEU 239 219 LYS 240 220 ILE 241 221 SER 242 222 GLU 243 223 SER 244 224 THR 245 225 HIS 246 226 ASN 247 227 THR 248 228 ASN 249 229 ASN 250 230 ALA 251 231 ASN 252 232 VAL 253 233 THR 254 234 SER 255 235 ALA 256 236 ASP 257 237 ALA 258 238 LEU 259 239 ILE 260 240 LYS 261 241 GLU 262 242 GLN 263 243 GLU 264 244 GLU 265 245 GLU 266 246 VAL 267 247 ASP 268 248 ASP 269 249 GLU 270 250 VAL 271 251 VAL 272 252 ASN 273 253 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-16 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 BMRB 15379 Sup35-NM 92.67 259 100.00 100.00 2.42e-174 BMRB 18407 Sup35 100.00 705 100.00 100.00 0.00e+00 DBJ GAA22402 "K7_Sup35p [Saccharomyces cerevisiae Kyokai no. 7]" 92.67 685 98.02 98.42 3.59e-167 EMBL CAA30155 "unnamed protein product [Saccharomyces cerevisiae]" 92.67 685 100.00 100.00 3.52e-172 EMBL CAA68760 "GST1 [Saccharomyces cerevisiae]" 92.67 685 99.60 99.60 8.96e-172 EMBL CAA86677 "Sup2p [Saccharomyces cerevisiae]" 92.67 685 100.00 100.00 3.52e-172 EMBL CAY78675 "Sup35p [Saccharomyces cerevisiae EC1118]" 92.67 685 98.81 99.21 4.16e-169 GB AAA35133 "omnipotent suppressor (alt.) [Saccharomyces cerevisiae]" 92.67 685 100.00 100.00 3.52e-172 GB AAF99684 "SUP35 allosuppressor mutant sal3-4 [Saccharomyces cerevisiae]" 92.67 685 100.00 100.00 4.62e-172 GB AAK26176 "prion protein [Saccharomyces cerevisiae]" 92.67 685 99.60 99.60 4.82e-171 GB AAK26180 "prion protein [Saccharomyces cerevisiae]" 92.67 685 99.60 99.60 4.82e-171 GB AAK26182 "prion protein, partial [Saccharomyces cerevisiae]" 88.64 242 99.59 99.59 1.15e-164 REF NP_010457 "translation termination factor GTPase eRF3 [Saccharomyces cerevisiae S288c]" 92.67 685 100.00 100.00 3.52e-172 SP P05453 "RecName: Full=Eukaryotic peptide chain release factor GTP-binding subunit; AltName: Full=ERF-3; Short=ERF3; AltName: Full=ERF2;" 92.67 685 100.00 100.00 3.52e-172 TPG DAA12014 "TPA: translation termination factor GTPase eRF3 [Saccharomyces cerevisiae S288c]" 92.67 685 100.00 100.00 3.52e-172 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Sup35NM 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $Sup35NM 'recombinant technology' 'Escherichia coli' Escherichia coli BL21-CodonPlus pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sup35NM_1 _Saveframe_category sample _Sample_type solid _Details 'destilled water' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sup35NM 15 mg '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.1 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_ccpNmr _Saveframe_category software _Name CcpNMR _Version any loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'Spectrum analysis' 'Spectrum display' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details WB save_ ############################# # NMR applied experiments # ############################# save_DARR_20_ms_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'DARR 20 ms' _Sample_label $Sup35NM_1 save_ save_NCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name NCA _Sample_label $Sup35NM_1 save_ save_NCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name NCACB _Sample_label $Sup35NM_1 save_ save_CANCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name CANCO _Sample_label $Sup35NM_1 save_ save_NCOCX_5 _Saveframe_category NMR_applied_experiment _Experiment_name NCOCX _Sample_label $Sup35NM_1 save_ save_NCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name NCACO _Sample_label $Sup35NM_1 save_ save_DARR_100_ms_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'DARR 100 ms' _Sample_label $Sup35NM_1 save_ save_NCOCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name NCOCA _Sample_label $Sup35NM_1 save_ save_NCACX_9 _Saveframe_category NMR_applied_experiment _Experiment_name NCACX _Sample_label $Sup35NM_1 save_ save_CCC_10 _Saveframe_category NMR_applied_experiment _Experiment_name CCC _Sample_label $Sup35NM_1 save_ save_HC_INEPT_11 _Saveframe_category NMR_applied_experiment _Experiment_name 'HC INEPT' _Sample_label $Sup35NM_1 save_ save_NCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name NCO _Sample_label $Sup35NM_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Condition _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 7.000 . pH pressure 1.000 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference _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 C 13 protons ppm 4.97 internal indirect . . . 0.25144953 water N 15 protons ppm 4.97 internal indirect . . . 0.10132912 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 'DARR 20 ms' NCA NCACB CANCO NCOCX NCACO 'DARR 100 ms' NCOCA NCACX CCC 'HC INEPT' NCO stop_ loop_ _Sample_label $Sup35NM_1 stop_ _Sample_conditions_label $Condition _Chem_shift_reference_set_label $reference _Mol_system_component_name Sup35NM _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 4 24 SER C C 174.101 0.119 1 2 4 24 SER CA C 58.758 0.140 1 3 4 24 SER CB C 60.786 0.100 1 4 4 24 SER N N 114.231 0.153 1 5 5 25 ASN C C 175.622 0.081 1 6 5 25 ASN CA C 55.897 0.082 1 7 5 25 ASN CB C 40.158 0.125 1 8 5 25 ASN CG C 177.114 0.066 1 9 5 25 ASN N N 116.589 0.133 1 10 5 25 ASN ND2 N 119.186 0.170 1 11 6 26 GLN C C 176.341 0.023 1 12 6 26 GLN CA C 55.180 0.144 1 13 6 26 GLN CB C 32.317 0.115 1 14 6 26 GLN CG C 34.192 0.121 1 15 6 26 GLN CD C 180.433 0.140 1 16 6 26 GLN N N 121.369 0.128 1 17 6 26 GLN NE2 N 111.875 0.146 1 18 7 27 GLY C C 173.796 0.091 1 19 7 27 GLY CA C 43.914 0.098 1 20 7 27 GLY N N 105.979 0.150 1 21 8 28 ASN C C 176.723 0.097 1 22 8 28 ASN CA C 53.121 0.130 1 23 8 28 ASN CB C 39.283 0.105 1 24 8 28 ASN N N 121.095 0.330 1 25 9 29 ASN C C 173.965 0.088 1 26 9 29 ASN CA C 54.436 0.090 1 27 9 29 ASN CB C 37.134 0.087 1 28 9 29 ASN CG C 178.304 0.105 1 29 9 29 ASN N N 121.511 0.152 1 30 10 30 GLN C C 175.490 0.068 1 31 10 30 GLN CA C 56.399 0.119 1 32 10 30 GLN CB C 30.357 0.085 1 33 10 30 GLN CG C 34.665 0.147 1 34 10 30 GLN CD C 179.464 0.076 1 35 10 30 GLN N N 121.714 0.252 1 36 10 30 GLN NE2 N 114.698 0.093 1 37 11 31 GLN C C 173.193 0.132 1 38 11 31 GLN CA C 54.561 0.127 1 39 11 31 GLN CB C 32.614 0.111 1 40 11 31 GLN CG C 33.704 0.098 1 41 11 31 GLN CD C 178.570 0.047 1 42 11 31 GLN N N 126.876 0.208 1 43 11 31 GLN NE2 N 110.675 0.002 1 44 12 32 ASN C C 172.112 0.100 1 45 12 32 ASN CA C 52.406 0.086 1 46 12 32 ASN CB C 43.348 0.104 1 47 12 32 ASN CG C 176.983 0.100 1 48 12 32 ASN N N 120.836 0.139 1 49 12 32 ASN ND2 N 120.390 0.001 1 50 13 33 TYR C C 173.963 0.092 1 51 13 33 TYR CA C 56.871 0.113 1 52 13 33 TYR CB C 39.693 0.155 1 53 13 33 TYR CG C 130.839 0.015 1 54 13 33 TYR CD1 C 132.557 0.014 3 55 13 33 TYR CD2 C 132.557 0.014 3 56 13 33 TYR CE1 C 118.397 0.014 3 57 13 33 TYR CE2 C 118.397 0.014 3 58 13 33 TYR CZ C 156.569 0.014 1 59 13 33 TYR N N 123.508 0.173 1 60 14 34 GLN C C 175.621 0.012 1 61 14 34 GLN CA C 55.294 0.125 1 62 14 34 GLN CB C 32.734 0.337 1 63 14 34 GLN CG C 33.046 0.045 1 64 14 34 GLN CD C 178.861 0.090 1 65 14 34 GLN N N 125.898 0.216 1 66 14 34 GLN NE2 N 109.133 0.065 1 67 17 37 SER C C 174.867 0.066 1 68 17 37 SER CA C 59.153 0.167 1 69 17 37 SER CB C 60.919 0.062 1 70 17 37 SER N N 107.263 0.228 1 71 18 38 GLN C C 174.649 0.008 1 72 18 38 GLN CA C 55.271 0.076 1 73 18 38 GLN CB C 31.626 0.008 1 74 18 38 GLN N N 121.040 0.214 1 75 20 40 GLY C C 174.069 0.076 1 76 20 40 GLY CA C 45.827 0.030 1 77 20 40 GLY N N 109.982 0.000 1 78 21 41 ASN C C 175.916 0.049 1 79 21 41 ASN CA C 52.402 0.081 1 80 21 41 ASN CB C 39.310 0.014 1 81 21 41 ASN CG C 176.875 0.060 1 82 21 41 ASN N N 119.800 0.250 1 83 22 42 GLN C C 176.463 0.058 1 84 22 42 GLN CA C 55.138 0.092 1 85 22 42 GLN CB C 32.847 0.033 1 86 22 42 GLN CG C 33.355 0.063 1 87 22 42 GLN CD C 178.130 0.036 1 88 22 42 GLN N N 116.400 0.173 1 89 22 42 GLN NE2 N 112.528 0.000 1 90 23 43 GLN C C 175.941 0.078 1 91 23 43 GLN CA C 53.985 0.083 1 92 23 43 GLN CB C 32.112 0.169 1 93 23 43 GLN CD C 178.377 0.102 1 94 23 43 GLN N N 123.442 0.193 1 95 23 43 GLN NE2 N 107.336 0.070 1 96 24 44 GLN C C 174.649 0.081 1 97 24 44 GLN CA C 55.437 0.133 1 98 24 44 GLN CB C 27.733 0.112 1 99 24 44 GLN CG C 32.775 0.096 1 100 24 44 GLN CD C 177.328 0.124 1 101 24 44 GLN N N 132.865 0.173 1 102 24 44 GLN NE2 N 107.360 0.085 1 103 25 45 GLY C C 171.181 0.080 1 104 25 45 GLY CA C 44.207 0.120 1 105 25 45 GLY N N 113.067 0.266 1 106 26 46 ASN C C 175.080 0.098 1 107 26 46 ASN CA C 51.837 0.086 1 108 26 46 ASN CB C 42.014 0.097 1 109 26 46 ASN CG C 177.150 0.094 1 110 26 46 ASN N N 115.217 0.182 1 111 27 47 ASN C C 177.245 0.065 1 112 27 47 ASN CA C 52.407 0.082 1 113 27 47 ASN CB C 43.967 0.148 1 114 27 47 ASN CG C 174.904 0.134 1 115 27 47 ASN N N 114.990 0.062 1 116 28 48 ARG N N 118.300 0.047 1 stop_ save_