data_5699 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the N-terminal Extension of Human Aspartyl-tRNA Synthetase: Implications for its biological function ; _BMRB_accession_number 5699 _BMRB_flat_file_name bmr5699.str _Entry_type original _Submission_date 2003-02-17 _Accession_date 2003-02-18 _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 Cheong Hae-Kap . . 2 Park Jin-Young . . 3 Kim Eun-Hee . . 4 Lee Chulhyun . . 5 Kim Sunghoon . . 6 Kim Youngsoo . . 7 Choi Byong-Seok . . 8 Cheong Chaejoon . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-07 original author . stop_ _Original_release_date 2003-08-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the N-terminal Extension of Human Aspartyl-tRNA Synthetase: Implications for its Biological Function ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22708093 _PubMed_ID 12824064 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cheong Hae-Kap . . 2 Park Jin-Young . . 3 Kim Eun-Hee . . 4 Lee Chulhyun . . 5 Kim Sunghoon . . 6 Kim Youngsoo . . 7 Choi Byong-Seok . . 8 Cheong Chaejoon . . stop_ _Journal_abbreviation 'Int. J. Biochem. Cell Biol.' _Journal_volume 35 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1548 _Page_last 1557 _Year 2003 _Details . loop_ _Keyword DRS 'multi-synthetase complex' 'NMR structure' 'N-terminal extension' stop_ save_ ################################## # Molecular system description # ################################## save_system_DRS _Saveframe_category molecular_system _Mol_system_name 'N-terminal extension of hDRS' _Abbreviation_common DRS _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DRS monomer' $DRS 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_DRS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Aspartyl-tRNA synthetase' _Abbreviation_common DRS _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 21 _Mol_residue_sequence ; TQRKSQEKPREIMDAAEDYA K ; loop_ _Residue_seq_code _Residue_label 1 THR 2 GLN 3 ARG 4 LYS 5 SER 6 GLN 7 GLU 8 LYS 9 PRO 10 ARG 11 GLU 12 ILE 13 MET 14 ASP 15 ALA 16 ALA 17 GLU 18 ASP 19 TYR 20 ALA 21 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 4J15 "Crystal Structure Of Human Cytosolic Aspartyl-trna Synthetase, A Component Of Multi-trna Synthetase Complex" 90.48 521 100.00 100.00 1.36e-02 DBJ BAD96196 "aspartyl-tRNA synthetase variant [Homo sapiens]" 90.48 501 100.00 100.00 1.39e-02 DBJ BAE88534 "unnamed protein product [Macaca fascicularis]" 90.48 501 100.00 100.00 1.39e-02 DBJ BAF83296 "unnamed protein product [Homo sapiens]" 90.48 501 100.00 100.00 1.39e-02 EMBL CAH91575 "hypothetical protein [Pongo abelii]" 90.48 501 100.00 100.00 1.36e-02 GB AAA35567 "aspartyl-tRNA synthetase [Homo sapiens]" 100.00 500 100.00 100.00 7.01e-04 GB AAH00629 "Aspartyl-tRNA synthetase [Homo sapiens]" 90.48 501 100.00 100.00 1.39e-02 GB AAI07750 "Aspartyl-tRNA synthetase [Homo sapiens]" 90.48 501 100.00 100.00 1.38e-02 GB AAP35356 "aspartyl-tRNA synthetase [Homo sapiens]" 90.48 501 100.00 100.00 1.39e-02 GB AAP36306 "Homo sapiens aspartyl-tRNA synthetase [synthetic construct]" 90.48 502 100.00 100.00 1.35e-02 REF NP_001125925 "aspartate--tRNA ligase, cytoplasmic [Pongo abelii]" 90.48 501 100.00 100.00 1.36e-02 REF NP_001340 "aspartate--tRNA ligase, cytoplasmic isoform 1 [Homo sapiens]" 90.48 501 100.00 100.00 1.39e-02 REF XP_001095858 "PREDICTED: aspartyl-tRNA synthetase, cytoplasmic [Macaca mulatta]" 90.48 501 100.00 100.00 1.42e-02 REF XP_001155169 "PREDICTED: aspartate--tRNA ligase, cytoplasmic [Pan troglodytes]" 90.48 501 100.00 100.00 1.42e-02 REF XP_002712168 "PREDICTED: aspartate--tRNA ligase, cytoplasmic [Oryctolagus cuniculus]" 90.48 501 100.00 100.00 1.53e-02 SP P14868 "RecName: Full=Aspartate--tRNA ligase, cytoplasmic; AltName: Full=Aspartyl-tRNA synthetase; Short=AspRS; AltName: Full=Cell prol" 90.48 501 100.00 100.00 1.39e-02 SP Q5R9I5 "RecName: Full=Aspartate--tRNA ligase, cytoplasmic; AltName: Full=Aspartyl-tRNA synthetase; Short=AspRS [Pongo abelii]" 90.48 501 100.00 100.00 1.36e-02 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DRS Human 9606 Eukaryota Metazoa Homo sapiens 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 $DRS '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 $DRS 2 mM . stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version 2.1 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 na 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 TSP 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label DQF-COSY NOESY TOCSY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'DRS monomer' _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 THR HA H 4.10 0.05 1 2 . 1 THR HB H 3.75 0.05 1 3 . 1 THR HG2 H 1.26 0.05 1 4 . 2 GLN HA H 4.38 0.05 1 5 . 2 GLN HB2 H 1.98 0.05 2 6 . 2 GLN HB3 H 2.10 0.05 2 7 . 2 GLN HG2 H 2.36 0.05 1 8 . 2 GLN HG3 H 2.36 0.05 1 9 . 3 ARG H H 8.43 0.05 1 10 . 3 ARG HA H 4.29 0.05 1 11 . 3 ARG HB2 H 1.72 0.05 2 12 . 3 ARG HB3 H 1.81 0.05 2 13 . 3 ARG HG2 H 1.60 0.05 1 14 . 3 ARG HG3 H 1.60 0.05 1 15 . 3 ARG HD2 H 3.15 0.05 1 16 . 3 ARG HD3 H 3.15 0.05 1 17 . 3 ARG HH11 H 7.29 0.05 2 18 . 3 ARG HH21 H 6.63 0.05 2 19 . 4 LYS H H 8.34 0.05 1 20 . 4 LYS HA H 4.30 0.05 1 21 . 4 LYS HB2 H 1.73 0.05 2 22 . 4 LYS HB3 H 1.81 0.05 2 23 . 4 LYS HG2 H 1.41 0.05 1 24 . 4 LYS HG3 H 1.41 0.05 1 25 . 4 LYS HD2 H 1.65 0.05 1 26 . 4 LYS HD3 H 1.65 0.05 1 27 . 4 LYS HE2 H 2.95 0.05 1 28 . 4 LYS HE3 H 2.95 0.05 1 29 . 5 SER H H 8.24 0.05 1 30 . 5 SER HA H 4.37 0.05 1 31 . 5 SER HB2 H 3.89 0.05 2 32 . 5 SER HB3 H 3.82 0.05 2 33 . 6 GLN H H 8.31 0.05 1 34 . 6 GLN HA H 4.32 0.05 1 35 . 6 GLN HB2 H 1.95 0.05 2 36 . 6 GLN HB3 H 2.11 0.05 2 37 . 6 GLN HG2 H 2.32 0.05 1 38 . 6 GLN HG3 H 2.32 0.05 1 39 . 7 GLU H H 8.27 0.05 1 40 . 7 GLU HA H 4.26 0.05 1 41 . 7 GLU HB2 H 1.90 0.05 2 42 . 7 GLU HB3 H 2.00 0.05 2 43 . 7 GLU HG2 H 2.23 0.05 1 44 . 7 GLU HG3 H 2.23 0.05 1 45 . 8 LYS H H 8.13 0.05 1 46 . 8 LYS HA H 4.56 0.05 1 47 . 8 LYS HB2 H 1.76 0.05 1 48 . 8 LYS HB3 H 1.76 0.05 1 49 . 8 LYS HG2 H 1.43 0.05 1 50 . 8 LYS HG3 H 1.43 0.05 1 51 . 8 LYS HD2 H 1.70 0.05 1 52 . 8 LYS HD3 H 1.70 0.05 1 53 . 8 LYS HE2 H 2.94 0.05 1 54 . 8 LYS HE3 H 2.94 0.05 1 55 . 9 PRO HA H 4.36 0.05 1 56 . 9 PRO HB2 H 1.89 0.05 2 57 . 9 PRO HB3 H 2.33 0.05 2 58 . 9 PRO HG2 H 1.98 0.05 2 59 . 9 PRO HG3 H 2.03 0.05 2 60 . 9 PRO HD2 H 3.54 0.05 2 61 . 9 PRO HD3 H 3.76 0.05 2 62 . 10 ARG H H 8.21 0.05 1 63 . 10 ARG HA H 4.13 0.05 1 64 . 10 ARG HB2 H 1.80 0.05 1 65 . 10 ARG HB3 H 1.80 0.05 1 66 . 10 ARG HG2 H 1.66 0.05 1 67 . 10 ARG HG3 H 1.66 0.05 1 68 . 10 ARG HD2 H 3.16 0.05 1 69 . 10 ARG HD3 H 3.16 0.05 1 70 . 10 ARG HH11 H 6.63 0.05 2 71 . 10 ARG HH21 H 7.32 0.05 2 72 . 11 GLU H H 8.74 0.05 1 73 . 11 GLU HA H 4.18 0.05 1 74 . 11 GLU HB2 H 1.95 0.05 1 75 . 11 GLU HB3 H 1.95 0.05 1 76 . 11 GLU HG2 H 2.27 0.05 1 77 . 11 GLU HG3 H 2.27 0.05 1 78 . 12 ILE H H 7.89 0.05 1 79 . 12 ILE HA H 4.02 0.05 1 80 . 12 ILE HB H 1.87 0.05 1 81 . 12 ILE HG12 H 1.16 0.05 2 82 . 12 ILE HG13 H 1.43 0.05 2 83 . 12 ILE HG2 H 0.86 0.05 1 84 . 12 ILE HD1 H 0.80 0.05 1 85 . 13 MET H H 7.94 0.05 1 86 . 13 MET HA H 4.31 0.05 1 87 . 13 MET HB2 H 2.07 0.05 1 88 . 13 MET HB3 H 2.07 0.05 1 89 . 13 MET HG2 H 2.46 0.05 2 90 . 13 MET HG3 H 2.56 0.05 2 91 . 13 MET HE H 2.00 0.05 1 92 . 14 ASP H H 8.16 0.05 1 93 . 14 ASP HA H 4.52 0.05 1 94 . 14 ASP HB2 H 2.66 0.05 1 95 . 14 ASP HB3 H 2.66 0.05 1 96 . 15 ALA H H 7.89 0.05 1 97 . 15 ALA HA H 4.23 0.05 1 98 . 15 ALA HB H 1.40 0.05 1 99 . 16 ALA H H 8.06 0.05 1 100 . 16 ALA HA H 4.16 0.05 1 101 . 16 ALA HB H 1.39 0.05 1 102 . 17 GLU H H 8.05 0.05 1 103 . 17 GLU HA H 4.12 0.05 1 104 . 17 GLU HB2 H 1.91 0.05 2 105 . 17 GLU HB3 H 1.97 0.05 2 106 . 17 GLU HG2 H 2.23 0.05 1 107 . 17 GLU HG3 H 2.23 0.05 1 108 . 18 ASP H H 8.01 0.05 1 109 . 18 ASP HA H 4.50 0.05 1 110 . 18 ASP HB2 H 2.55 0.05 1 111 . 18 ASP HB3 H 2.55 0.05 1 112 . 19 TYR H H 7.76 0.05 1 113 . 19 TYR HA H 4.45 0.05 1 114 . 19 TYR HB2 H 2.94 0.05 2 115 . 19 TYR HB3 H 3.07 0.05 2 116 . 19 TYR HD1 H 7.08 0.05 1 117 . 19 TYR HD2 H 7.08 0.05 1 118 . 19 TYR HE1 H 6.77 0.05 1 119 . 19 TYR HE2 H 6.77 0.05 1 120 . 20 ALA H H 7.83 0.05 1 121 . 20 ALA HA H 4.28 0.05 1 122 . 20 ALA HB H 1.32 0.05 1 123 . 21 LYS H H 7.48 0.05 1 124 . 21 LYS HA H 4.11 0.05 1 125 . 21 LYS HB2 H 1.79 0.05 1 126 . 21 LYS HB3 H 1.79 0.05 1 127 . 21 LYS HG2 H 1.37 0.05 1 128 . 21 LYS HG3 H 1.37 0.05 1 129 . 21 LYS HD2 H 1.65 0.05 1 130 . 21 LYS HD3 H 1.65 0.05 1 131 . 21 LYS HE2 H 2.95 0.05 1 132 . 21 LYS HE3 H 2.95 0.05 1 stop_ save_