data_17889 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The polyserine tract of Nasonia vitripennis Vg residues 351-385 ; _BMRB_accession_number 17889 _BMRB_flat_file_name bmr17889.str _Entry_type original _Submission_date 2011-08-29 _Accession_date 2011-08-29 _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 Havukainen Heli . . 2 Halskau Oyvind . Jr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 206 "15N chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-22 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A vitellogenin polyserine cleavage site: highly disordered conformation protected from proteolysis by phosphorylation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22573762 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Havukainen Heli . . 2 Underhaug Jarl . . 3 Wolschin Florian . . 4 Amdam Gro . . 5 Halskau Oyvind . . stop_ _Journal_abbreviation 'J. Exp. Biol.' _Journal_name_full 'The Journal of experimental biology' _Journal_volume 215 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1837 _Page_last 1846 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NvVg _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NvVg $NvVg 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_NvVg _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NvVg _Molecular_mass 4046.233 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 35 _Mol_residue_sequence ; EHKHSDESTSESFESIADNN DDSYFQRKPKLTEAP ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 HIS 3 LYS 4 HIS 5 SER 6 ASP 7 GLU 8 SER 9 THR 10 SER 11 GLU 12 SER 13 PHE 14 GLU 15 SER 16 ILE 17 ALA 18 ASP 19 ASN 20 ASN 21 ASP 22 ASP 23 SER 24 TYR 25 PHE 26 GLN 27 ARG 28 LYS 29 PRO 30 LYS 31 LEU 32 THR 33 GLU 34 ALA 35 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-23 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 PDB 2LID "The Polyserine Tract Of Nasonia Vitripennis Vg Residues 351-385" 100.00 35 97.14 97.14 1.75e-14 REF XP_001607388 "PREDICTED: vitellogenin [Nasonia vitripennis]" 100.00 1799 97.14 100.00 5.66e-13 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NvVg 'Jewel Wasp' 7425 Eukaryota Metazoa Nasonia vitripennis 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 $NvVg 'chemical synthesis' . . . . . 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 $NvVg 20 w/v [U-15N]-ILE 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AV600 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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_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 temperature 273 . K pH 6.7 . pH pressure 1 . atm 'ionic strength' 0.06 . M 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 DSS N 15 'methyl protons' ppm 0.00 internal 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-1H TOCSY' '2D 1H-1H NOESY' '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 NvVg _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 GLU HA H 4.272 0.002 1 2 1 1 GLU HB2 H 1.988 0.002 1 3 1 1 GLU HB3 H 1.855 0.001 1 4 1 1 GLU HG2 H 2.274 0.004 1 5 1 1 GLU HG3 H 2.274 0.004 1 6 1 1 GLU H H 8.280 0.002 1 7 1 1 GLU N N 122.285 0.000 1 8 2 2 HIS H H 8.959 0.001 1 9 2 2 HIS HA H 4.653 0.003 1 10 2 2 HIS HB2 H 3.091 0.005 1 11 2 2 HIS HB3 H 3.136 0.003 1 12 2 2 HIS HD2 H 8.501 0.001 1 13 2 2 HIS HE1 H 7.193 0.001 1 14 2 2 HIS N N 121.309 0.000 1 15 3 3 LYS H H 8.533 0.001 1 16 3 3 LYS HA H 4.195 0.000 1 17 3 3 LYS HB2 H 1.658 0.004 1 18 3 3 LYS HB3 H 1.658 0.004 1 19 3 3 LYS HG2 H 1.304 0.005 1 20 3 3 LYS HG3 H 1.261 0.004 1 21 3 3 LYS HD2 H 1.627 0.011 1 22 3 3 LYS HD3 H 1.627 0.011 1 23 3 3 LYS HE2 H 2.885 0.005 1 24 3 3 LYS HE3 H 2.885 0.005 1 25 3 3 LYS N N 123.963 0.000 1 26 4 4 HIS H H 8.690 0.001 1 27 4 4 HIS HA H 4.606 0.001 1 28 4 4 HIS HB2 H 3.136 0.003 1 29 4 4 HIS HB3 H 3.171 0.002 1 30 4 4 HIS HD2 H 8.512 0.000 1 31 4 4 HIS HE1 H 7.224 0.002 1 32 4 4 HIS N N 120.657 0.000 1 33 5 5 SER H H 8.375 0.001 1 34 5 5 SER HA H 4.347 0.002 1 35 5 5 SER HB2 H 3.803 0.002 1 36 5 5 SER HB3 H 3.737 0.002 1 37 5 5 SER N N 117.522 0.000 1 38 6 6 ASP H H 8.405 0.001 1 39 6 6 ASP HA H 4.569 0.002 1 40 6 6 ASP HB2 H 2.641 0.000 1 41 6 6 ASP HB3 H 2.696 0.001 1 42 6 6 ASP N N 122.035 0.000 1 43 7 7 GLU H H 8.237 0.002 1 44 7 7 GLU HA H 4.273 0.001 1 45 7 7 GLU HB2 H 1.990 0.002 1 46 7 7 GLU HB3 H 1.861 0.005 1 47 7 7 GLU HG2 H 2.274 0.003 1 48 7 7 GLU HG3 H 2.274 0.003 1 49 7 7 GLU N N 120.246 0.000 1 50 8 8 SER H H 8.193 0.003 1 51 8 8 SER HA H 4.398 0.005 1 52 8 8 SER HB2 H 3.817 0.005 1 53 8 8 SER HB3 H 3.765 0.005 1 54 8 8 SER N N 117.720 0.000 1 55 9 9 THR H H 8.051 0.003 1 56 9 9 THR HA H 4.226 0.005 1 57 9 9 THR HB H 4.113 0.003 1 58 9 9 THR HG2 H 1.104 0.003 1 59 9 9 THR N N 115.050 0.000 1 60 10 10 SER H H 8.276 0.002 1 61 10 10 SER HA H 4.341 0.002 1 62 10 10 SER HB2 H 3.810 0.002 1 63 10 10 SER HB3 H 3.772 0.001 1 64 10 10 SER N N 116.587 0.000 1 65 11 11 GLU H H 8.357 0.001 1 66 11 11 GLU HA H 4.269 0.001 1 67 11 11 GLU HB2 H 1.950 0.002 1 68 11 11 GLU HB3 H 1.834 0.003 1 69 11 11 GLU HG2 H 2.275 0.002 1 70 11 11 GLU HG3 H 2.275 0.002 1 71 11 11 GLU N N 122.386 0.000 1 72 12 12 SER H H 8.406 0.001 1 73 12 12 SER HA H 4.433 0.004 1 74 12 12 SER HB2 H 3.992 0.001 1 75 12 12 SER HB3 H 3.992 0.001 1 76 12 12 SER N N 115.938 0.000 1 77 13 13 PHE H H 8.064 0.002 1 78 13 13 PHE HA H 4.482 0.001 1 79 13 13 PHE HB2 H 3.001 0.002 1 80 13 13 PHE HB3 H 3.001 0.002 1 81 13 13 PHE HD1 H 7.132 0.005 1 82 13 13 PHE HD2 H 7.132 0.005 1 83 13 13 PHE HE1 H 7.235 0.003 1 84 13 13 PHE HE2 H 7.235 0.003 1 85 13 13 PHE HZ H 7.190 0.003 1 86 13 13 PHE N N 121.769 0.000 1 87 14 14 GLU H H 8.117 0.001 1 88 14 14 GLU HA H 4.190 0.002 1 89 14 14 GLU HB2 H 1.942 0.003 1 90 14 14 GLU HB3 H 1.843 0.004 1 91 14 14 GLU HG2 H 2.232 0.001 1 92 14 14 GLU HG3 H 2.232 0.001 1 93 14 14 GLU N N 121.529 0.000 1 94 15 15 SER H H 8.114 0.001 1 95 15 15 SER HA H 4.331 0.002 1 96 15 15 SER HB2 H 3.785 0.000 1 97 15 15 SER HB3 H 3.766 0.005 1 98 15 15 SER N N 116.705 0.000 1 99 16 16 ILE H H 7.981 0.003 1 100 16 16 ILE HA H 4.061 0.001 1 101 16 16 ILE HB H 1.770 0.002 1 102 16 16 ILE HG12 H 1.352 0.003 1 103 16 16 ILE HG13 H 1.067 0.004 1 104 16 16 ILE HG2 H 0.751 0.002 1 105 16 16 ILE HD1 H 0.801 0.002 1 106 16 16 ILE N N 122.303 0.000 1 107 17 17 ALA H H 8.161 0.003 1 108 17 17 ALA HA H 4.183 0.002 1 109 17 17 ALA HB H 1.253 0.002 1 110 17 17 ALA N N 127.099 0.000 1 111 18 18 ASP H H 8.134 0.003 1 112 18 18 ASP HA H 4.515 0.003 1 113 18 18 ASP HB2 H 2.619 0.004 1 114 18 18 ASP HB3 H 2.695 0.004 1 115 18 18 ASP N N 118.740 0.000 1 116 19 19 ASN H H 8.189 0.002 1 117 19 19 ASN HA H 4.565 0.003 1 118 19 19 ASN HB2 H 2.654 0.008 1 119 19 19 ASN HB3 H 2.708 0.006 1 120 19 19 ASN HD21 H 6.778 0.001 1 121 19 19 ASN HD22 H 7.468 0.002 1 122 19 19 ASN N N 118.913 0.000 1 123 19 19 ASN ND2 N 112.642 0.007 1 124 20 20 ASN H H 8.290 0.002 1 125 20 20 ASN HA H 4.593 0.003 1 126 20 20 ASN HB2 H 2.671 0.003 1 127 20 20 ASN HB3 H 2.730 0.005 1 128 20 20 ASN HD21 H 6.794 0.003 1 129 20 20 ASN HD22 H 7.500 0.002 1 130 20 20 ASN N N 118.703 0.000 1 131 20 20 ASN ND2 N 112.967 0.005 1 132 21 21 ASP H H 8.206 0.003 1 133 21 21 ASP HA H 4.548 0.002 1 134 21 21 ASP HB2 H 2.672 0.007 1 135 21 21 ASP HB3 H 2.727 0.002 1 136 21 21 ASP N N 119.859 0.000 1 137 22 22 ASP H H 8.294 0.004 1 138 22 22 ASP HA H 4.550 0.001 1 139 22 22 ASP HB2 H 2.689 0.000 1 140 22 22 ASP HB3 H 2.731 0.000 1 141 22 22 ASP N N 120.431 0.000 1 142 23 23 SER H H 8.186 0.002 1 143 23 23 SER HA H 4.213 0.001 1 144 23 23 SER HB2 H 3.747 0.006 1 145 23 23 SER HB3 H 3.720 0.005 1 146 23 23 SER N N 115.864 0.000 1 147 24 24 TYR H H 7.955 0.001 1 148 24 24 TYR HA H 4.270 0.003 1 149 24 24 TYR HB2 H 2.838 0.002 1 150 24 24 TYR HB3 H 2.783 0.002 1 151 24 24 TYR HD1 H 6.800 0.001 1 152 24 24 TYR HD2 H 6.800 0.001 1 153 24 24 TYR HE1 H 6.668 0.002 1 154 24 24 TYR HE2 H 6.668 0.002 1 155 24 24 TYR N N 121.678 0.000 1 156 25 25 PHE H H 7.776 0.001 1 157 25 25 PHE HA H 4.366 0.005 1 158 25 25 PHE HB2 H 3.037 0.003 1 159 25 25 PHE HB3 H 2.904 0.003 1 160 25 25 PHE HD1 H 7.148 0.003 1 161 25 25 PHE HD2 H 7.148 0.003 1 162 25 25 PHE HE1 H 7.279 0.003 1 163 25 25 PHE HE2 H 7.279 0.003 1 164 25 25 PHE HZ H 7.224 0.002 1 165 25 25 PHE N N 119.567 0.000 1 166 26 26 GLN H H 7.928 0.002 1 167 26 26 GLN HA H 4.132 0.004 1 168 26 26 GLN HB2 H 1.959 0.003 1 169 26 26 GLN HB3 H 1.838 0.002 1 170 26 26 GLN HG2 H 2.185 0.002 1 171 26 26 GLN HG3 H 2.185 0.002 1 172 26 26 GLN HE21 H 7.402 0.001 1 173 26 26 GLN HE22 H 6.777 0.001 1 174 26 26 GLN N N 120.553 0.000 1 175 26 26 GLN NE2 N 112.260 0.014 1 176 27 27 ARG H H 8.027 0.003 1 177 27 27 ARG HA H 4.183 0.004 1 178 27 27 ARG HB2 H 1.718 0.003 1 179 27 27 ARG HB3 H 1.634 0.003 1 180 27 27 ARG HG2 H 1.513 0.007 1 181 27 27 ARG HG3 H 1.513 0.007 1 182 27 27 ARG HD2 H 3.065 0.002 1 183 27 27 ARG HD3 H 3.065 0.002 1 184 27 27 ARG HE H 7.110 0.002 1 185 27 27 ARG N N 121.580 0.000 1 186 27 27 ARG NE N 114.710 0.000 1 187 28 28 LYS H H 8.158 0.003 1 188 28 28 LYS HA H 4.471 0.004 1 189 28 28 LYS HB2 H 1.712 0.003 1 190 28 28 LYS HB3 H 1.712 0.003 1 191 28 28 LYS HG2 H 1.352 0.005 1 192 28 28 LYS HG3 H 1.352 0.005 1 193 28 28 LYS HD2 H 1.590 0.006 1 194 28 28 LYS HD3 H 1.590 0.006 1 195 28 28 LYS HE2 H 2.888 0.007 1 196 28 28 LYS HE3 H 2.888 0.007 1 197 28 28 LYS N N 123.672 0.000 1 198 29 29 PRO HA H 4.298 0.005 1 199 29 29 PRO HB2 H 2.181 0.002 1 200 29 29 PRO HB3 H 2.181 0.002 1 201 29 29 PRO HG2 H 1.901 0.004 1 202 29 29 PRO HG3 H 1.766 0.003 1 203 29 29 PRO HD2 H 3.696 0.002 1 204 29 29 PRO HD3 H 3.529 0.004 1 205 30 30 LYS H H 8.307 0.001 1 206 30 30 LYS HA H 4.195 0.001 1 207 30 30 LYS HB2 H 1.717 0.003 1 208 30 30 LYS HB3 H 1.717 0.003 1 209 30 30 LYS HG2 H 1.368 0.004 1 210 30 30 LYS HG3 H 1.327 0.003 1 211 30 30 LYS HD2 H 1.642 0.003 1 212 30 30 LYS HD3 H 1.642 0.003 1 213 30 30 LYS HE2 H 2.898 0.007 1 214 30 30 LYS HE3 H 2.898 0.007 1 215 30 30 LYS N N 121.864 0.000 1 216 31 31 LEU H H 8.276 0.002 1 217 31 31 LEU HA H 4.370 0.004 1 218 31 31 LEU HB2 H 1.567 0.009 1 219 31 31 LEU HB3 H 1.567 0.009 1 220 31 31 LEU HG H 1.535 0.009 1 221 31 31 LEU HD1 H 0.839 0.004 1 222 31 31 LEU HD2 H 0.786 0.004 1 223 31 31 LEU N N 124.171 0.000 1 224 32 32 THR H H 7.952 0.004 1 225 32 32 THR HA H 4.378 0.000 1 226 32 32 THR HB H 4.324 0.000 1 227 32 32 THR HG2 H 1.201 0.001 1 228 32 32 THR N N 119.714 0.000 1 229 33 33 GLU H H 7.865 0.004 1 230 33 33 GLU HA H 4.170 0.001 1 231 33 33 GLU HB3 H 1.809 0.000 1 232 33 33 GLU N N 121.732 0.000 1 233 34 34 ALA H H 8.215 0.002 1 234 34 34 ALA HA H 4.500 0.002 1 235 34 34 ALA HB H 1.275 0.002 1 236 34 34 ALA N N 127.078 0.000 1 237 35 35 PRO HA H 4.180 0.002 1 238 35 35 PRO HB2 H 2.141 0.001 1 239 35 35 PRO HB3 H 2.232 0.000 1 240 35 35 PRO HG2 H 1.904 0.003 1 241 35 35 PRO HG3 H 1.838 0.001 1 242 35 35 PRO HD2 H 3.650 0.003 1 243 35 35 PRO HD3 H 3.554 0.004 1 stop_ save_