data_25676 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments of the mutant NS4A N-terminal domain ; _BMRB_accession_number 25676 _BMRB_flat_file_name bmr25676.str _Entry_type original _Submission_date 2015-06-30 _Accession_date 2015-07-01 _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 Hung Yu-Fu . . 2 Schwarten Melanie . . 3 Hoffmann Silke . . 4 Willbold Dieter . . 5 Sklan Ella H. . 6 Koenig Bernd W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 41 "13C chemical shifts" 134 "15N chemical shifts" 41 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-07-24 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25586 'wt NS4A N-terminal domain of DENV' stop_ _Original_release_date 2015-07-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Amino Terminal Region of Dengue Virus NS4A Cytosolic Domain Binds to Highly Curved Liposomes. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26197333 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hung Yu-Fu . . 2 Schwarten Melanie . . 3 Hoffmann Silke . . 4 Willbold Dieter . . 5 Sklan Ella H. . 6 Koenig Bernd W. . stop_ _Journal_abbreviation Viruses _Journal_name_full Viruses _Journal_volume 7 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4119 _Page_last 4130 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NS4A_mut _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NS4A mut' $molecule_1 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_molecule_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common molecule_1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 48 _Mol_residue_sequence ; SLTLNEITEEGRLPTFMTQK ARDALDNLAVLHTAEAGGRA YNHALSEL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 LEU 3 3 THR 4 4 LEU 5 5 ASN 6 6 GLU 7 7 ILE 8 8 THR 9 9 GLU 10 10 GLU 11 11 GLY 12 12 ARG 13 13 LEU 14 14 PRO 15 15 THR 16 16 PHE 17 17 MET 18 18 THR 19 19 GLN 20 20 LYS 21 21 ALA 22 22 ARG 23 23 ASP 24 24 ALA 25 25 LEU 26 26 ASP 27 27 ASN 28 28 LEU 29 29 ALA 30 30 VAL 31 31 LEU 32 32 HIS 33 33 THR 34 34 ALA 35 35 GLU 36 36 ALA 37 37 GLY 38 38 GLY 39 39 ARG 40 40 ALA 41 41 TYR 42 42 ASN 43 43 HIS 44 44 ALA 45 45 LEU 46 46 SER 47 47 GLU 48 48 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-29 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 25180 mutNS4A 100.00 48 100.00 100.00 6.68e-25 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $molecule_1 'Aeropyrum pernix' 56636 Archaea . Aeropyrum pernix 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 $molecule_1 'recombinant technology' . Escherichia coli BL21(DE3) pGEX-4T-2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NMR_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $molecule_1 200 uM '[U-13C; U-15N]' 'Sodium Phosphate' 50 mM 'natural abundance' 'Sodium Azide' 0.03 % 'natural abundance' 'Sodium Chloride' 150 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Avance III HD' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NMR_sample save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $NMR_sample save_ save_3D_HNCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $NMR_sample save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NMR_sample save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NMR_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 6.8 . pH pressure 1.0 . atm temperature 303.0 . 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 DSS C 13 'methyl carbons' ppm 0.00 internal direct . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACO' '3D HNCACB' stop_ loop_ _Sample_label $NMR_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NS4A mut' _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 2 LEU C C 177.415 0.004 1 2 2 2 LEU CA C 55.334 . 1 3 2 2 LEU CB C 42.764 . 1 4 3 3 THR H H 8.362 0.001 1 5 3 3 THR C C 174.411 0.001 1 6 3 3 THR CA C 61.726 0.02 1 7 3 3 THR CB C 69.839 0.012 1 8 3 3 THR N N 116.160 0.013 1 9 4 4 LEU H H 8.306 0.001 1 10 4 4 LEU C C 177.030 0.017 1 11 4 4 LEU CA C 55.410 0.006 1 12 4 4 LEU CB C 42.280 0.008 1 13 4 4 LEU N N 124.588 0.014 1 14 5 5 ASN H H 8.395 0.001 1 15 5 5 ASN C C 174.974 0.013 1 16 5 5 ASN CA C 53.496 0.012 1 17 5 5 ASN CB C 38.918 0.003 1 18 5 5 ASN N N 119.113 0.012 1 19 6 6 GLU H H 8.260 0.001 1 20 6 6 GLU C C 176.354 0.027 1 21 6 6 GLU CA C 56.746 0.028 1 22 6 6 GLU CB C 30.477 0.002 1 23 6 6 GLU N N 120.833 0.017 1 24 7 7 ILE H H 8.174 0.001 1 25 7 7 ILE C C 176.469 0.057 1 26 7 7 ILE CA C 61.274 0.005 1 27 7 7 ILE CB C 38.548 . 1 28 7 7 ILE N N 121.812 0.01 1 29 8 8 THR H H 8.188 0.001 1 30 8 8 THR C C 174.608 0.011 1 31 8 8 THR CA C 61.708 0.028 1 32 8 8 THR CB C 69.945 0.0 1 33 8 8 THR N N 118.085 0.016 1 34 9 9 GLU H H 8.424 0.001 1 35 9 9 GLU C C 176.626 0.009 1 36 9 9 GLU CA C 56.858 0.037 1 37 9 9 GLU CB C 30.182 0.096 1 38 9 9 GLU N N 123.192 0.014 1 39 10 10 GLU H H 8.444 0.001 1 40 10 10 GLU C C 177.202 0.012 1 41 10 10 GLU CA C 57.269 0.013 1 42 10 10 GLU CB C 30.048 0.037 1 43 10 10 GLU N N 121.816 0.009 1 44 11 11 GLY H H 8.410 0.001 1 45 11 11 GLY C C 174.079 0.011 1 46 11 11 GLY CA C 45.439 0.006 1 47 11 11 GLY N N 109.570 0.012 1 48 12 12 ARG H H 7.913 0.001 1 49 12 12 ARG C C 176.070 0.012 1 50 12 12 ARG CA C 55.764 0.014 1 51 12 12 ARG CB C 30.952 0.002 1 52 12 12 ARG N N 119.949 0.013 1 53 13 13 LEU H H 8.225 0.001 1 54 13 13 LEU C C 175.419 . 1 55 13 13 LEU CA C 53.196 0.034 1 56 13 13 LEU CB C 41.718 . 1 57 13 13 LEU N N 124.400 0.008 1 58 14 14 PRO C C 177.089 0.011 1 59 14 14 PRO CA C 63.160 . 1 60 14 14 PRO CB C 32.063 . 1 61 15 15 THR H H 8.097 0.0 1 62 15 15 THR C C 174.710 0.013 1 63 15 15 THR CA C 62.438 0.006 1 64 15 15 THR CB C 69.585 0.021 1 65 15 15 THR N N 113.628 0.011 1 66 16 16 PHE H H 8.048 0.003 1 67 16 16 PHE C C 175.621 . 1 68 16 16 PHE CA C 57.934 . 1 69 16 16 PHE CB C 39.246 . 1 70 16 16 PHE N N 121.047 0.015 1 71 17 17 MET C C 176.224 0.008 1 72 17 17 MET CA C 55.604 . 1 73 17 17 MET CB C 33.171 . 1 74 18 18 THR H H 8.002 0.001 1 75 18 18 THR C C 174.648 0.019 1 76 18 18 THR CA C 62.023 . 1 77 18 18 THR CB C 69.860 . 1 78 18 18 THR N N 114.568 0.011 1 79 19 19 GLN H H 8.395 0.002 1 80 19 19 GLN C C 176.207 0.012 1 81 19 19 GLN CA C 56.525 0.01 1 82 19 19 GLN CB C 29.185 0.004 1 83 19 19 GLN N N 122.440 0.028 1 84 20 20 LYS H H 8.255 0.001 1 85 20 20 LYS C C 176.917 0.016 1 86 20 20 LYS CA C 56.915 0.009 1 87 20 20 LYS CB C 32.935 0.005 1 88 20 20 LYS N N 121.618 0.019 1 89 21 21 ALA H H 8.174 0.001 1 90 21 21 ALA C C 178.403 0.012 1 91 21 21 ALA CA C 53.040 0.008 1 92 21 21 ALA CB C 19.085 0.001 1 93 21 21 ALA N N 124.682 0.013 1 94 22 22 ARG H H 8.274 0.001 1 95 22 22 ARG C C 176.805 0.014 1 96 22 22 ARG CA C 57.059 0.005 1 97 22 22 ARG CB C 30.589 0.001 1 98 22 22 ARG N N 120.157 0.019 1 99 23 23 ASP H H 8.339 0.001 1 100 23 23 ASP C C 176.492 0.012 1 101 23 23 ASP CA C 54.912 0.004 1 102 23 23 ASP CB C 41.031 0.004 1 103 23 23 ASP N N 120.571 0.012 1 104 24 24 ALA H H 7.975 0.001 1 105 24 24 ALA C C 178.231 0.014 1 106 24 24 ALA CA C 53.082 0.0 1 107 24 24 ALA CB C 19.016 0.005 1 108 24 24 ALA N N 123.096 0.011 1 109 25 25 LEU H H 8.043 0.001 1 110 25 25 LEU C C 177.674 0.02 1 111 25 25 LEU CA C 55.676 0.015 1 112 25 25 LEU CB C 42.056 0.008 1 113 25 25 LEU N N 120.006 0.01 1 114 26 26 ASP H H 8.132 0.003 1 115 26 26 ASP C C 176.339 0.019 1 116 26 26 ASP CA C 54.707 0.014 1 117 26 26 ASP CB C 41.057 0.004 1 118 26 26 ASP N N 120.045 0.021 1 119 27 27 ASN H H 8.192 0.006 1 120 27 27 ASN C C 175.516 0.01 1 121 27 27 ASN CA C 53.651 0.059 1 122 27 27 ASN CB C 38.679 0.009 1 123 27 27 ASN N N 118.412 0.048 1 124 28 28 LEU H H 8.076 0.001 1 125 28 28 LEU C C 177.409 0.007 1 126 28 28 LEU CA C 55.690 0.002 1 127 28 28 LEU CB C 42.039 0.007 1 128 28 28 LEU N N 121.422 0.01 1 129 29 29 ALA H H 8.044 0.001 1 130 29 29 ALA C C 177.979 0.01 1 131 29 29 ALA CA C 52.962 0.018 1 132 29 29 ALA CB C 18.963 0.017 1 133 29 29 ALA N N 123.559 0.02 1 134 30 30 VAL H H 7.810 0.001 1 135 30 30 VAL C C 176.157 0.011 1 136 30 30 VAL CA C 62.480 0.007 1 137 30 30 VAL CB C 32.532 0.001 1 138 30 30 VAL N N 118.048 0.023 1 139 31 31 LEU H H 8.062 0.001 1 140 31 31 LEU C C 177.158 . 1 141 31 31 LEU CA C 55.253 0.004 1 142 31 31 LEU CB C 42.383 . 1 143 31 31 LEU N N 124.580 0.017 1 144 32 32 HIS C C 175.534 0.025 1 145 32 32 HIS CA C 56.195 . 1 146 33 33 THR H H 7.989 0.003 1 147 33 33 THR C C 174.382 0.015 1 148 33 33 THR CA C 61.897 0.007 1 149 33 33 THR CB C 69.838 0.006 1 150 33 33 THR N N 115.046 0.033 1 151 34 34 ALA H H 8.344 0.001 1 152 34 34 ALA C C 177.974 0.014 1 153 34 34 ALA CA C 52.858 0.003 1 154 34 34 ALA CB C 19.151 0.004 1 155 34 34 ALA N N 125.995 0.01 1 156 35 35 GLU H H 8.326 0.001 1 157 35 35 GLU C C 176.594 0.008 1 158 35 35 GLU CA C 56.756 0.009 1 159 35 35 GLU CB C 30.100 0.005 1 160 35 35 GLU N N 119.806 0.02 1 161 36 36 ALA H H 8.264 0.001 1 162 36 36 ALA C C 178.338 0.012 1 163 36 36 ALA CA C 52.832 0.001 1 164 36 36 ALA CB C 19.092 0.011 1 165 36 36 ALA N N 124.763 0.013 1 166 37 37 GLY H H 8.323 0.001 1 167 37 37 GLY C C 174.831 0.019 1 168 37 37 GLY CA C 45.400 0.074 1 169 37 37 GLY N N 107.933 0.014 1 170 38 38 GLY H H 8.208 0.003 1 171 38 38 GLY C C 174.180 0.013 1 172 38 38 GLY CA C 45.323 0.004 1 173 38 38 GLY N N 108.506 0.014 1 174 39 39 ARG H H 8.120 0.002 1 175 39 39 ARG C C 175.948 0.017 1 176 39 39 ARG CA C 56.050 0.014 1 177 39 39 ARG CB C 30.854 . 1 178 39 39 ARG N N 120.368 0.013 1 179 40 40 ALA H H 8.275 0.001 1 180 40 40 ALA C C 177.341 0.008 1 181 40 40 ALA CA C 52.343 0.033 1 182 40 40 ALA CB C 19.200 . 1 183 40 40 ALA N N 124.697 0.023 1 184 41 41 TYR H H 8.077 0.001 1 185 41 41 TYR C C 175.341 . 1 186 41 41 TYR CA C 57.863 . 1 187 41 41 TYR CB C 38.818 . 1 188 41 41 TYR N N 119.367 0.013 1 189 43 43 HIS C C 175.134 0.002 1 190 43 43 HIS CA C 56.610 . 1 191 43 43 HIS CB C 30.443 . 1 192 44 44 ALA H H 8.161 0.001 1 193 44 44 ALA C C 177.792 0.028 1 194 44 44 ALA CA C 52.693 0.011 1 195 44 44 ALA CB C 19.058 0.026 1 196 44 44 ALA N N 124.253 0.018 1 197 45 45 LEU H H 8.095 0.001 1 198 45 45 LEU C C 177.520 0.016 1 199 45 45 LEU CA C 55.298 0.007 1 200 45 45 LEU CB C 42.172 0.003 1 201 45 45 LEU N N 120.593 0.023 1 202 46 46 SER H H 8.104 0.003 1 203 46 46 SER C C 174.301 0.006 1 204 46 46 SER CA C 58.423 0.003 1 205 46 46 SER CB C 63.883 0.003 1 206 46 46 SER N N 115.628 0.011 1 207 47 47 GLU H H 8.285 0.001 1 208 47 47 GLU C C 175.353 0.008 1 209 47 47 GLU CA C 56.468 0.043 1 210 47 47 GLU CB C 30.328 0.0 1 211 47 47 GLU N N 122.933 0.009 1 212 48 48 LEU H H 7.771 0.001 1 213 48 48 LEU C C 182.408 . 1 214 48 48 LEU CA C 56.724 0.006 1 215 48 48 LEU CB C 43.348 . 1 216 48 48 LEU N N 128.270 0.015 1 stop_ save_