data_19294 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DNA-binding domain of T. brucei telomeric protein tbTRF ; _BMRB_accession_number 19294 _BMRB_flat_file_name bmr19294.str _Entry_type original _Submission_date 2013-06-09 _Accession_date 2013-06-09 _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 LI Xiaohua . . 2 YE Fei . . 3 ZHANG Mingjie . . 4 ZHAO Yanxiang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 97 "15N chemical shifts" 98 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-07-14 original author . stop_ _Original_release_date 2014-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'DNA-binding domain of T. brucei telomeric protein tbTRF' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 LI Xiaohua . . 2 YE Fei . . 3 ZHANG Mingjie . . 4 ZHAO Yanxiang . . stop_ _Journal_abbreviation 'Not known' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DNA-binding domain of T. brucei telomeric protein tbTRF' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DNA-binding domain of T. brucei telomeric protein tbTRF' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 12054.533 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; GPGSLSNFANVGVGTSSGKQ KRYKFSASEDEAIIKGLARF TKGQQRFQQIYYAYRSVWHP ARTVSQLYDHWRGTLRYKVI QQQGYRGKNSVAARSPEKAS NMENNE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 GLY 4 SER 5 LEU 6 SER 7 ASN 8 PHE 9 ALA 10 ASN 11 VAL 12 GLY 13 VAL 14 GLY 15 THR 16 SER 17 SER 18 GLY 19 LYS 20 GLN 21 LYS 22 ARG 23 TYR 24 LYS 25 PHE 26 SER 27 ALA 28 SER 29 GLU 30 ASP 31 GLU 32 ALA 33 ILE 34 ILE 35 LYS 36 GLY 37 LEU 38 ALA 39 ARG 40 PHE 41 THR 42 LYS 43 GLY 44 GLN 45 GLN 46 ARG 47 PHE 48 GLN 49 GLN 50 ILE 51 TYR 52 TYR 53 ALA 54 TYR 55 ARG 56 SER 57 VAL 58 TRP 59 HIS 60 PRO 61 ALA 62 ARG 63 THR 64 VAL 65 SER 66 GLN 67 LEU 68 TYR 69 ASP 70 HIS 71 TRP 72 ARG 73 GLY 74 THR 75 LEU 76 ARG 77 TYR 78 LYS 79 VAL 80 ILE 81 GLN 82 GLN 83 GLN 84 GLY 85 TYR 86 ARG 87 GLY 88 LYS 89 ASN 90 SER 91 VAL 92 ALA 93 ALA 94 ARG 95 SER 96 PRO 97 GLU 98 LYS 99 ALA 100 SER 101 ASN 102 MET 103 GLU 104 ASN 105 ASN 106 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-23 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 2M9H "Dna-binding Domain Of T. Brucei Telomeric Protein Tbtrf" 100.00 106 100.00 100.00 5.02e-71 EMBL CBH16451 "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" 96.23 382 100.00 100.00 7.52e-66 GB AAX86992 "TTAGGG binding factor [Trypanosoma brucei]" 96.23 382 100.00 100.00 7.85e-66 GB EAN78659 "hypothetical protein, conserved [Trypanosoma brucei brucei TREU927]" 96.23 382 99.02 100.00 3.93e-65 REF XP_011778715 "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" 96.23 382 100.00 100.00 7.52e-66 REF XP_823487 "hypothetical protein [Trypanosoma brucei brucei TREU927]" 96.23 382 99.02 100.00 3.93e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity dog 9615 Eukaryota Metazoa Canis familiaris 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 $entity 'recombinant technology' . Escherichia coli . pETM 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 $entity . mM 'natural abundance' 'potassium phosphate' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 0.1 . M pH 5.6 . pH pressure 1 . atm temperature 303 . 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 protons' ppm 0.00 na indirect . . . 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_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D HNCACB' '3D 1H-13C NOESY' 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 'DNA-binding domain of T. brucei telomeric protein tbTRF' _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 GLY N N 110.7530 . . 2 3 3 GLY H H 8.5850 . . 3 3 3 GLY N N 109.8510 . . 4 4 4 SER H H 8.1290 . . 5 4 4 SER N N 115.5420 . . 6 5 5 LEU H H 8.3150 . . 7 5 5 LEU N N 123.9290 . . 8 6 6 SER H H 8.1910 . . 9 6 6 SER N N 115.9120 . . 10 7 7 ASN H H 8.4000 . . 11 7 7 ASN N N 120.4070 . . 12 8 8 PHE H H 8.0830 . . 13 8 8 PHE N N 120.0590 . . 14 9 9 ALA H H 8.0720 . . 15 9 9 ALA N N 124.3250 . . 16 10 10 ASN H H 8.2370 . . 17 10 10 ASN N N 117.5590 . . 18 11 11 VAL H H 7.9490 . . 19 11 11 VAL N N 119.3910 . . 20 12 12 GLY H H 8.4260 . . 21 12 12 GLY N N 112.1240 . . 22 13 13 VAL H H 7.9800 . . 23 13 13 VAL N N 118.9780 . . 24 14 14 GLY H H 8.5100 . . 25 14 14 GLY N N 112.2590 . . 26 15 15 THR H H 8.0580 . . 27 15 15 THR N N 113.2940 . . 28 16 16 SER H H 8.4090 . . 29 16 16 SER N N 118.0150 . . 30 17 17 SER H H 8.3360 . . 31 17 17 SER N N 117.6420 . . 32 18 18 GLY H H 8.3690 . . 33 18 18 GLY N N 110.6610 . . 34 19 19 LYS H H 8.1050 . . 35 19 19 LYS N N 120.5100 . . 36 20 20 GLN H H 8.2550 . . 37 20 20 GLN N N 120.8150 . . 38 21 21 LYS H H 8.2350 . . 39 21 21 LYS N N 123.1900 . . 40 22 22 ARG H H 8.0050 . . 41 22 22 ARG N N 122.0380 . . 42 23 23 TYR H H 8.3320 . . 43 23 23 TYR N N 122.2490 . . 44 24 24 LYS H H 8.5910 . . 45 24 24 LYS N N 125.906 . . 46 25 25 PHE H H 8.8750 . . 47 25 25 PHE N N 124.526 . . 48 26 26 SER H H 9.5360 . . 49 26 26 SER N N 121.585 . . 50 27 27 ALA H H 9.0420 . . 51 27 27 ALA N N 124.035 . . 52 28 28 SER H H 8.3230 . . 53 28 28 SER N N 112.803 . . 54 29 29 GLU H H 7.8600 . . 55 29 29 GLU N N 123.527 . . 56 30 30 ASP H H 8.2620 . . 57 30 30 ASP N N 120.1940 . . 58 31 31 GLU H H 8.1790 . . 59 31 31 GLU N N 117.806 . . 60 32 32 ALA H H 7.6390 . . 61 32 32 ALA N N 121.610 . . 62 33 33 ILE H H 8.1440 . . 63 33 33 ILE N N 117.076 . . 64 34 34 ILE H H 7.925 . . 65 34 34 ILE N N 118.607 . . 66 35 35 LYS H H 8.578 . . 67 35 35 LYS N N 120.394 . . 68 36 36 GLY H H 8.8660 . . 69 36 36 GLY N N 110.322 . . 70 37 37 LEU H H 8.6100 . . 71 37 37 LEU N N 123.178 . . 72 38 38 ALA H H 7.0160 . . 73 38 38 ALA N N 117.618 . . 74 39 39 ARG H H 7.2740 . . 75 39 39 ARG N N 118.101 . . 76 40 40 PHE H H 8.3170 . . 77 40 40 PHE N N 120.820 . . 78 41 41 THR H H 7.9670 . . 79 41 41 THR N N 111.784 . . 80 42 42 LYS H H 7.909 . . 81 42 42 LYS N N 119.745 . . 82 43 43 GLY H H 8.413 . . 83 43 43 GLY N N 109.836 . . 84 44 44 GLN H H 8.7010 . . 85 44 44 GLN N N 119.3850 . . 86 45 45 GLN H H 8.7010 . . 87 45 45 GLN N N 117.9450 . . 88 46 46 ARG H H 7.5080 . . 89 46 46 ARG N N 120.0310 . . 90 47 47 PHE H H 8.1920 . . 91 47 47 PHE N N 114.9420 . . 92 48 48 GLN H H 7.9520 . . 93 48 48 GLN N N 122.0790 . . 94 49 49 GLN H H 7.8730 . . 95 49 49 GLN N N 117.5120 . . 96 50 50 ILE H H 8.0000 . . 97 50 50 ILE N N 119.8700 . . 98 51 51 TYR H H 8.3490 . . 99 51 51 TYR N N 119.3290 . . 100 52 52 TYR H H 8.0420 . . 101 52 52 TYR N N 114.6380 . . 102 53 53 ALA H H 8.3320 . . 103 53 53 ALA N N 122.2390 . . 104 54 54 TYR H H 7.3580 . . 105 54 54 TYR N N 115.4350 . . 106 55 55 ARG H H 6.6250 . . 107 55 55 ARG N N 118.1540 . . 108 56 56 SER H H 8.1490 . . 109 56 56 SER N N 110.8070 . . 110 57 57 VAL H H 7.7900 . . 111 57 57 VAL N N 120.6480 . . 112 58 58 TRP H H 5.9020 . . 113 58 58 TRP N N 114.0040 . . 114 59 59 HIS H H 8.6580 . . 115 59 59 HIS N N 125.0340 . . 116 61 61 ALA H H 8.2200 . . 117 61 61 ALA N N 123.7400 . . 118 62 62 ARG H H 8.2210 . . 119 62 62 ARG N N 120.1180 . . 120 63 63 THR H H 6.8600 . . 121 63 63 THR N N 114.0280 . . 122 64 64 VAL H H 8.1040 . . 123 64 64 VAL N N 120.4980 . . 124 65 65 SER H H 8.2100 . . 125 65 65 SER N N 113.8180 . . 126 66 66 GLN H H 7.4710 . . 127 66 66 GLN N N 119.3040 . . 128 67 67 LEU H H 7.7240 . . 129 67 67 LEU N N 118.9870 . . 130 68 68 TYR H H 7.5600 . . 131 68 68 TYR N N 118.9180 . . 132 69 69 ASP H H 8.6110 . . 133 69 69 ASP N N 119.0210 . . 134 70 70 HIS H H 8.2170 . . 135 70 70 HIS N N 119.5660 . . 136 71 71 TRP H H 8.5100 . . 137 71 71 TRP N N 122.0740 . . 138 73 73 GLY H H 7.9770 . . 139 73 73 GLY N N 102.1710 . . 140 74 74 THR H H 7.1900 . . 141 74 74 THR N N 112.3060 . . 142 75 75 LEU H H 7.7350 . . 143 75 75 LEU N N 122.3190 . . 144 76 76 ARG H H 8.1880 . . 145 76 76 ARG N N 116.9560 . . 146 80 80 ILE H H 7.8620 . . 147 80 80 ILE N N 122.0690 . . 148 81 81 GLN H H 8.1610 . . 149 81 81 GLN N N 122.5360 . . 150 83 83 GLN H H 8.3420 . . 151 83 83 GLN N N 120.7320 . . 152 84 84 GLY H H 8.3100 . . 153 84 84 GLY N N 109.3580 . . 154 85 85 TYR H H 8.0260 . . 155 85 85 TYR N N 120.2750 . . 156 86 86 ARG H H 8.2170 . . 157 86 86 ARG N N 123.5130 . . 158 87 87 GLY H H 7.7600 . . 159 87 87 GLY N N 108.9520 . . 160 88 88 LYS H H 8.1930 . . 161 88 88 LYS N N 120.7040 . . 162 89 89 ASN H H 8.4690 . . 163 89 89 ASN N N 119.2950 . . 164 90 90 SER H H 8.1640 . . 165 90 90 SER N N 116.1720 . . 166 91 91 VAL H H 8.0760 . . 167 91 91 VAL N N 121.4040 . . 168 92 92 ALA H H 8.2240 . . 169 92 92 ALA N N 127.0630 . . 170 93 93 ALA H H 8.1280 . . 171 93 93 ALA N N 123.1460 . . 172 94 94 ARG H H 8.1780 . . 173 94 94 ARG N N 120.0400 . . 174 95 95 SER H H 8.3250 . . 175 95 95 SER N N 118.5240 . . 176 97 97 GLU H H 8.4810 . . 177 97 97 GLU N N 120.8280 . . 178 98 98 LYS H H 8.2110 . . 179 98 98 LYS N N 122.0840 . . 180 99 99 ALA H H 8.2800 . . 181 99 99 ALA N N 125.3180 . . 182 100 100 SER H H 8.2620 . . 183 100 100 SER N N 114.8430 . . 184 101 101 ASN H H 8.2600 . . 185 101 101 ASN N N 120.1690 . . 186 102 102 MET H H 8.2620 . . 187 102 102 MET N N 120.3090 . . 188 103 103 GLU H H 8.3450 . . 189 103 103 GLU N N 121.1990 . . 190 104 104 ASN H H 8.3850 . . 191 104 104 ASN N N 119.1390 . . 192 105 105 ASN H H 8.4000 . . 193 105 105 ASN N N 119.6400 . . 194 106 106 GLU H H 7.9260 . . 195 106 106 GLU N N 125.7410 . . stop_ save_