data_5257 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Thymosin beta-9 ; _BMRB_accession_number 5257 _BMRB_flat_file_name bmr5257.str _Entry_type original _Submission_date 2002-01-11 _Accession_date 2002-01-14 _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 Stoll R. . . 2 Voelter W. . . 3 Holak T. A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 253 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-02-08 original author . stop_ _Original_release_date 2002-02-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformation of thymosin beta-9 in water/fluoroalcohol solution determined by NMR spectroscopy ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9108730 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Stoll R. . . 2 Voelter W. . . 3 Holak T. A. . stop_ _Journal_abbreviation Biopolymers _Journal_volume 41 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 623 _Page_last 634 _Year 1997 _Details . save_ ################################## # Molecular system description # ################################## save_system_T_beta-9 _Saveframe_category molecular_system _Mol_system_name 'Thymosin beta-9' _Abbreviation_common T_beta-9 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Thymosin beta-9' $T_beta-9 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_T_beta-9 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Thymosin beta-9' _Abbreviation_common T_beta-9 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 41 _Mol_residue_sequence ; ADKPDLGEINSFDKAKLKKT ETQEKNTLPTKETIEQEKQA K ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 LYS 4 PRO 5 ASP 6 LEU 7 GLY 8 GLU 9 ILE 10 ASN 11 SER 12 PHE 13 ASP 14 LYS 15 ALA 16 LYS 17 LEU 18 LYS 19 LYS 20 THR 21 GLU 22 THR 23 GLN 24 GLU 25 LYS 26 ASN 27 THR 28 LEU 29 PRO 30 THR 31 LYS 32 GLU 33 THR 34 ILE 35 GLU 36 GLN 37 GLU 38 LYS 39 GLN 40 ALA 41 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1HJ0 "Thymosin Beta9" 100.00 41 100.00 100.00 7.35e-18 GB AAG03074 "thymosin beta-10 [Bos taurus]" 100.00 42 100.00 100.00 5.96e-18 GB ABK55658 "TMSB10 [Sus scrofa]" 100.00 42 97.56 100.00 9.78e-18 GB ELR59301 "Thymosin beta-10 [Bos mutus]" 100.00 42 100.00 100.00 5.96e-18 REF NP_001090951 "thymosin beta-10 [Sus scrofa]" 100.00 42 97.56 100.00 9.78e-18 REF NP_777048 "thymosin beta-10 [Bos taurus]" 100.00 42 100.00 100.00 5.96e-18 REF XP_004005914 "PREDICTED: thymosin beta-10 [Ovis aries]" 100.00 42 97.56 100.00 9.78e-18 REF XP_005686787 "PREDICTED: thymosin beta-10 [Capra hircus]" 100.00 42 97.56 100.00 9.78e-18 REF XP_005891744 "PREDICTED: thymosin beta-10 [Bos mutus]" 100.00 42 100.00 100.00 5.96e-18 SP P21752 "RecName: Full=Thymosin beta-10; AltName: Full=Thymosin beta-9; Contains: RecName: Full=Thymosin beta-8 [Bos taurus]" 100.00 42 100.00 100.00 5.96e-18 SP P21753 "RecName: Full=Thymosin beta-10; AltName: Full=Thymosin beta-9 [Sus scrofa]" 100.00 42 97.56 100.00 9.78e-18 TPG DAA24569 "TPA: thymosin beta-10 [Bos taurus]" 100.00 42 100.00 100.00 5.96e-18 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $T_beta-9 Cow 9913 Eukaryota Metazoa Bos taurus thymus 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 $T_beta-9 'purified from the natural source' . . . . . 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 _Concentration_max_value _Isotopic_labeling $T_beta-9 . mM 5 . 1,1,1,3,3,3-hexafluoro-2-propanol 40 % . [U-2H] H2O 60 % . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.1 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_chem_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Thymosin beta-9' _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 ALA H H 7.63 0.02 1 2 . 1 ALA HA H 4.30 0.02 1 3 . 1 ALA HB H 1.41 0.02 1 4 . 2 ASP H H 8.03 0.02 1 5 . 2 ASP HA H 4.75 0.02 1 6 . 2 ASP HB2 H 2.92 0.02 1 7 . 2 ASP HB3 H 2.92 0.02 1 8 . 3 LYS H H 7.82 0.02 1 9 . 3 LYS HA H 4.63 0.02 1 10 . 3 LYS HB2 H 1.81 0.02 2 11 . 3 LYS HB3 H 1.91 0.02 2 12 . 3 LYS HG2 H 1.48 0.02 1 13 . 3 LYS HG3 H 1.48 0.02 1 14 . 3 LYS HD2 H 1.58 0.02 1 15 . 3 LYS HD3 H 1.58 0.02 1 16 . 4 PRO HA H 4.48 0.02 1 17 . 4 PRO HB2 H 2.89 0.02 2 18 . 4 PRO HB3 H 2.28 0.02 2 19 . 4 PRO HG2 H 1.96 0.02 2 20 . 4 PRO HG3 H 2.03 0.02 2 21 . 4 PRO HD2 H 3.65 0.02 2 22 . 4 PRO HD3 H 3.78 0.02 2 23 . 5 ASP H H 7.95 0.02 1 24 . 5 ASP HA H 4.88 0.02 1 25 . 5 ASP HB2 H 3.02 0.02 2 26 . 5 ASP HB3 H 3.04 0.02 2 27 . 6 LEU H H 7.90 0.02 1 28 . 6 LEU HA H 4.18 0.02 1 29 . 6 LEU HB2 H 1.63 0.02 2 30 . 6 LEU HB3 H 1.66 0.02 2 31 . 6 LEU HG H 1.22 0.02 1 32 . 6 LEU HD1 H 0.99 0.02 2 33 . 6 LEU HD2 H 1.02 0.02 2 34 . 7 GLY H H 8.23 0.02 1 35 . 7 GLY HA2 H 3.92 0.02 1 36 . 7 GLY HA3 H 3.92 0.02 1 37 . 8 GLU H H 7.76 0.02 1 38 . 8 GLU HA H 4.21 0.02 1 39 . 8 GLU HB2 H 2.22 0.02 1 40 . 8 GLU HB3 H 2.22 0.02 1 41 . 8 GLU HG2 H 2.50 0.02 2 42 . 8 GLU HG3 H 2.53 0.02 2 43 . 9 ILE H H 7.93 0.02 1 44 . 9 ILE HA H 3.90 0.02 1 45 . 9 ILE HB H 1.98 0.02 1 46 . 9 ILE HG12 H 1.23 0.02 2 47 . 9 ILE HG13 H 1.66 0.02 2 48 . 9 ILE HG2 H 1.02 0.02 1 49 . 9 ILE HD1 H 0.90 0.02 1 50 . 10 ASN H H 8.37 0.02 1 51 . 10 ASN HA H 4.62 0.02 1 52 . 10 ASN HB2 H 2.84 0.02 2 53 . 10 ASN HB3 H 2.97 0.02 2 54 . 10 ASN HD21 H 6.53 0.02 2 55 . 10 ASN HD22 H 7.40 0.02 2 56 . 11 SER H H 8.02 0.02 1 57 . 11 SER HA H 4.28 0.02 1 58 . 11 SER HB2 H 3.99 0.02 2 59 . 11 SER HB3 H 4.09 0.02 2 60 . 12 PHE H H 8.29 0.02 1 61 . 12 PHE HA H 4.47 0.02 1 62 . 12 PHE HB2 H 3.25 0.02 1 63 . 12 PHE HB3 H 3.25 0.02 1 64 . 12 PHE HD1 H 7.25 0.02 1 65 . 12 PHE HD2 H 7.25 0.02 1 66 . 13 ASP H H 8.57 0.02 1 67 . 13 ASP HA H 4.46 0.02 1 68 . 13 ASP HB2 H 2.86 0.02 2 69 . 13 ASP HB3 H 3.16 0.02 2 70 . 14 LYS H H 8.10 0.02 1 71 . 14 LYS HA H 4.08 0.02 1 72 . 14 LYS HB2 H 1.92 0.02 2 73 . 14 LYS HB3 H 2.01 0.02 2 74 . 14 LYS HG2 H 1.44 0.02 1 75 . 14 LYS HG3 H 1.44 0.02 1 76 . 14 LYS HD2 H 1.78 0.02 1 77 . 14 LYS HD3 H 1.78 0.02 1 78 . 14 LYS HE2 H 3.19 0.02 1 79 . 14 LYS HE3 H 3.19 0.02 1 80 . 15 ALA H H 7.98 0.02 1 81 . 15 ALA HA H 4.12 0.02 1 82 . 15 ALA HB H 1.58 0.02 1 83 . 16 LYS H H 8.15 0.02 1 84 . 16 LYS HA H 3.93 0.02 1 85 . 16 LYS HB2 H 1.88 0.02 1 86 . 16 LYS HB3 H 1.88 0.02 1 87 . 16 LYS HG2 H 1.46 0.02 2 88 . 16 LYS HG3 H 1.48 0.02 2 89 . 16 LYS HD2 H 1.71 0.02 1 90 . 16 LYS HD3 H 1.71 0.02 1 91 . 16 LYS HE2 H 2.91 0.02 1 92 . 16 LYS HE3 H 2.91 0.02 1 93 . 17 LEU H H 8.21 0.02 1 94 . 17 LEU HA H 4.18 0.02 1 95 . 17 LEU HB2 H 1.82 0.02 1 96 . 17 LEU HB3 H 1.82 0.02 1 97 . 17 LEU HG H 1.48 0.02 1 98 . 17 LEU HD1 H 0.92 0.02 2 99 . 17 LEU HD2 H 0.94 0.02 2 100 . 18 LYS H H 8.40 0.02 1 101 . 18 LYS HA H 4.10 0.02 1 102 . 18 LYS HB2 H 2.02 0.02 1 103 . 18 LYS HB3 H 2.02 0.02 1 104 . 18 LYS HG2 H 1.53 0.02 2 105 . 18 LYS HG3 H 1.58 0.02 2 106 . 18 LYS HD2 H 1.85 0.02 2 107 . 18 LYS HD3 H 2.04 0.02 2 108 . 18 LYS HE2 H 2.97 0.02 1 109 . 18 LYS HE3 H 2.97 0.02 1 110 . 19 LYS H H 8.68 0.02 1 111 . 19 LYS HA H 4.04 0.02 1 112 . 19 LYS HB2 H 2.05 0.02 1 113 . 19 LYS HB3 H 2.05 0.02 1 114 . 19 LYS HG2 H 1.50 0.02 2 115 . 19 LYS HG3 H 1.55 0.02 2 116 . 19 LYS HD2 H 1.73 0.02 2 117 . 19 LYS HD3 H 1.86 0.02 2 118 . 19 LYS HE2 H 2.97 0.02 1 119 . 19 LYS HE3 H 2.97 0.02 1 120 . 20 THR H H 8.22 0.02 1 121 . 20 THR HA H 4.01 0.02 1 122 . 20 THR HB H 4.47 0.02 1 123 . 20 THR HG2 H 1.32 0.02 1 124 . 21 GLU H H 8.81 0.02 1 125 . 21 GLU HA H 4.10 0.02 1 126 . 21 GLU HB2 H 2.25 0.02 2 127 . 21 GLU HB3 H 2.28 0.02 2 128 . 21 GLU HG2 H 2.55 0.02 2 129 . 21 GLU HG3 H 2.68 0.02 2 130 . 22 THR H H 8.13 0.02 1 131 . 22 THR HA H 3.96 0.02 1 132 . 22 THR HB H 4.43 0.02 1 133 . 22 THR HG2 H 1.33 0.02 1 134 . 23 GLN H H 8.21 0.02 1 135 . 23 GLN HA H 4.18 0.02 1 136 . 23 GLN HB2 H 2.22 0.02 2 137 . 23 GLN HB3 H 2.23 0.02 2 138 . 23 GLN HG2 H 2.42 0.02 2 139 . 23 GLN HG3 H 2.58 0.02 2 140 . 23 GLN HE21 H 6.55 0.02 2 141 . 23 GLN HE22 H 6.98 0.02 2 142 . 24 GLU H H 8.43 0.02 1 143 . 24 GLU HA H 4.18 0.02 1 144 . 24 GLU HB2 H 2.23 0.02 1 145 . 24 GLU HB3 H 2.23 0.02 1 146 . 24 GLU HG2 H 2.65 0.02 1 147 . 24 GLU HG3 H 2.65 0.02 1 148 . 25 LYS H H 8.30 0.02 1 149 . 25 LYS HA H 4.18 0.02 1 150 . 25 LYS HB2 H 2.02 0.02 1 151 . 25 LYS HB3 H 2.02 0.02 1 152 . 25 LYS HG2 H 1.58 0.02 2 153 . 25 LYS HG3 H 1.68 0.02 2 154 . 25 LYS HD2 H 1.78 0.02 1 155 . 25 LYS HD3 H 1.78 0.02 1 156 . 26 ASN H H 7.95 0.02 1 157 . 26 ASN HA H 4.80 0.02 1 158 . 26 ASN HB2 H 2.91 0.02 2 159 . 26 ASN HB3 H 2.93 0.02 2 160 . 26 ASN HD21 H 6.62 0.02 2 161 . 26 ASN HD22 H 7.35 0.02 2 162 . 27 THR H H 7.90 0.02 1 163 . 27 THR HA H 4.40 0.02 1 164 . 27 THR HB H 4.39 0.02 1 165 . 27 THR HG2 H 1.36 0.02 1 166 . 28 LEU H H 7.89 0.02 1 167 . 28 LEU HA H 4.43 0.02 1 168 . 28 LEU HB2 H 1.91 0.02 1 169 . 28 LEU HB3 H 1.91 0.02 1 170 . 28 LEU HG H 1.77 0.02 1 171 . 28 LEU HD1 H 0.99 0.02 2 172 . 28 LEU HD2 H 1.02 0.02 2 173 . 29 PRO HA H 4.43 0.02 1 174 . 29 PRO HB2 H 2.19 0.02 1 175 . 29 PRO HB3 H 2.19 0.02 1 176 . 29 PRO HG2 H 2.00 0.02 2 177 . 29 PRO HG3 H 2.16 0.02 2 178 . 29 PRO HD2 H 3.82 0.02 2 179 . 29 PRO HD3 H 3.71 0.02 2 180 . 30 THR H H 7.63 0.02 1 181 . 30 THR HA H 4.11 0.02 1 182 . 30 THR HB H 4.41 0.02 1 183 . 30 THR HG2 H 1.32 0.02 1 184 . 31 LYS H H 8.25 0.02 1 185 . 31 LYS HA H 4.00 0.02 1 186 . 31 LYS HB2 H 1.97 0.02 1 187 . 31 LYS HB3 H 1.97 0.02 1 188 . 31 LYS HG2 H 1.46 0.02 2 189 . 31 LYS HG3 H 1.61 0.02 2 190 . 32 GLU H H 8.44 0.02 1 191 . 32 GLU HA H 4.10 0.02 1 192 . 32 GLU HB2 H 2.18 0.02 1 193 . 32 GLU HB3 H 2.18 0.02 1 194 . 32 GLU HG2 H 2.57 0.02 1 195 . 32 GLU HG3 H 2.57 0.02 1 196 . 33 THR H H 7.92 0.02 1 197 . 33 THR HA H 4.03 0.02 1 198 . 33 THR HB H 4.48 0.02 1 199 . 33 THR HG2 H 1.34 0.02 1 200 . 34 ILE H H 8.12 0.02 1 201 . 34 ILE HA H 3.76 0.02 1 202 . 34 ILE HB H 2.00 0.02 1 203 . 34 ILE HG12 H 1.20 0.02 2 204 . 34 ILE HG13 H 1.78 0.02 2 205 . 34 ILE HG2 H 0.97 0.02 1 206 . 34 ILE HD1 H 0.85 0.02 1 207 . 35 GLU H H 8.31 0.02 1 208 . 35 GLU HA H 4.06 0.02 1 209 . 35 GLU HB2 H 2.21 0.02 2 210 . 35 GLU HB3 H 2.26 0.02 2 211 . 35 GLU HG2 H 2.52 0.02 2 212 . 35 GLU HG3 H 2.67 0.02 2 213 . 36 GLN H H 8.18 0.02 1 214 . 36 GLN HA H 4.12 0.02 1 215 . 36 GLN HB2 H 2.26 0.02 2 216 . 36 GLN HB3 H 2.34 0.02 2 217 . 36 GLN HG2 H 2.51 0.02 2 218 . 36 GLN HG3 H 2.61 0.02 2 219 . 36 GLN HE21 H 6.49 0.02 2 220 . 36 GLN HE22 H 7.04 0.02 2 221 . 37 GLU H H 8.30 0.02 1 222 . 37 GLU HA H 4.19 0.02 1 223 . 37 GLU HB2 H 2.36 0.02 1 224 . 37 GLU HB3 H 2.36 0.02 1 225 . 37 GLU HG2 H 2.53 0.02 2 226 . 37 GLU HG3 H 2.61 0.02 2 227 . 38 LYS H H 8.33 0.02 1 228 . 38 LYS HA H 4.19 0.02 1 229 . 38 LYS HB2 H 1.99 0.02 1 230 . 38 LYS HB3 H 1.99 0.02 1 231 . 38 LYS HG2 H 1.58 0.02 2 232 . 38 LYS HG3 H 1.67 0.02 2 233 . 38 LYS HD2 H 1.72 0.02 1 234 . 38 LYS HD3 H 1.72 0.02 1 235 . 39 GLN H H 7.82 0.02 1 236 . 39 GLN HA H 4.31 0.02 1 237 . 39 GLN HB2 H 2.18 0.02 2 238 . 39 GLN HB3 H 2.27 0.02 2 239 . 39 GLN HG2 H 2.53 0.02 1 240 . 39 GLN HG3 H 2.53 0.02 1 241 . 39 GLN HE21 H 6.57 0.02 2 242 . 39 GLN HE22 H 7.27 0.02 2 243 . 40 ALA H H 7.82 0.02 1 244 . 40 ALA HA H 4.31 0.02 1 245 . 40 ALA HB H 1.53 0.02 1 246 . 41 LYS H H 7.84 0.02 1 247 . 41 LYS HA H 4.45 0.02 1 248 . 41 LYS HB2 H 1.99 0.02 2 249 . 41 LYS HB3 H 2.02 0.02 2 250 . 41 LYS HG2 H 1.57 0.02 1 251 . 41 LYS HG3 H 1.57 0.02 1 252 . 41 LYS HD2 H 1.78 0.02 1 253 . 41 LYS HD3 H 1.78 0.02 1 stop_ save_