data_5651 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Txk SH3 domain backbone assignments ; _BMRB_accession_number 5651 _BMRB_flat_file_name bmr5651.str _Entry_type original _Submission_date 2002-12-22 _Accession_date 2002-12-23 _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 Laederach Alain . . 2 Cradic Kendall W . 3 Fulton D. Bruce . 4 Andreotti Amy H . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 66 "15N chemical shifts" 61 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 ; Determinants of Intra Versus Intermolecular Self-association within the Regulatory Domains of Rlk and Itk ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22683847 _PubMed_ID 12798690 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Laederach Alain . . 2 Cradic Kendall W. . 3 Fulton D. Bruce . 4 Andreotti Amy H. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 329 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1011 _Page_last 1020 _Year 2003 _Details . loop_ _Keyword dimerization Itk NMR 'Resting Lymphocyte Kinase' Txk stop_ save_ ################################## # Molecular system description # ################################## save_system_Txk_or_Rlk _Saveframe_category molecular_system _Mol_system_name 'Txk SH3 domain' _Abbreviation_common 'Txk or Rlk' _Enzyme_commission_number 2.7.1.112 loop_ _Mol_system_component_name _Mol_label 'Txk SH3 domain' $SH3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SH3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Resting Lymphocyte Kinase' _Abbreviation_common Txk/Rlk _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 65 _Mol_residue_sequence ; GSPDERIQVKALYDFLPREP GNLALKRAEEYLILERCDPH WWKARDRFGNEGLIPSNYVT ENRLA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 79 GLY 2 80 SER 3 81 PRO 4 82 ASP 5 83 GLU 6 84 ARG 7 85 ILE 8 86 GLN 9 87 VAL 10 88 LYS 11 89 ALA 12 90 LEU 13 91 TYR 14 92 ASP 15 93 PHE 16 94 LEU 17 95 PRO 18 96 ARG 19 97 GLU 20 98 PRO 21 99 GLY 22 100 ASN 23 101 LEU 24 102 ALA 25 103 LEU 26 104 LYS 27 105 ARG 28 106 ALA 29 107 GLU 30 108 GLU 31 109 TYR 32 110 LEU 33 111 ILE 34 112 LEU 35 113 GLU 36 114 ARG 37 115 CYS 38 116 ASP 39 117 PRO 40 118 HIS 41 119 TRP 42 120 TRP 43 121 LYS 44 122 ALA 45 123 ARG 46 124 ASP 47 125 ARG 48 126 PHE 49 127 GLY 50 128 ASN 51 129 GLU 52 130 GLY 53 131 LEU 54 132 ILE 55 133 PRO 56 134 SER 57 135 ASN 58 136 TYR 59 137 VAL 60 138 THR 61 139 GLU 62 140 ASN 63 141 ARG 64 142 LEU 65 143 ALA 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 DBJ BAA07900 "protein tyrosine kinase [Mus musculus]" 96.92 527 100.00 100.00 9.78e-37 GB AAA67039 "resting lymphocyte kinase [Mus cookii]" 96.92 527 100.00 100.00 1.16e-35 GB AAA86698 "TXK [Mus musculus]" 96.92 527 100.00 100.00 1.16e-35 GB AAC52264 "Txk [Mus musculus]" 96.92 527 100.00 100.00 1.16e-35 GB AAI20553 "TXK tyrosine kinase [Mus musculus]" 96.92 527 100.00 100.00 1.06e-36 GB AAI37711 "TXK tyrosine kinase [Mus musculus]" 96.92 527 100.00 100.00 1.16e-35 REF NP_001116226 "tyrosine-protein kinase TXK isoform 1 [Mus musculus]" 96.92 527 100.00 100.00 1.16e-35 REF NP_001276423 "tyrosine-protein kinase TXK isoform 3 [Mus musculus]" 70.77 505 100.00 100.00 1.95e-24 REF NP_001276424 "tyrosine-protein kinase TXK isoform 4 [Mus musculus]" 96.92 473 100.00 100.00 1.40e-35 REF NP_038726 "tyrosine-protein kinase TXK isoform 2 [Mus musculus]" 96.92 527 100.00 100.00 1.16e-35 SP P42682 "RecName: Full=Tyrosine-protein kinase TXK; AltName: Full=PTK-RL-18; AltName: Full=Resting lymphocyte kinase [Mus musculus]" 96.92 527 100.00 100.00 1.16e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SH3 Mouse Eukaryota Metazoa 10090 Mus musculus 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 $SH3 'recombinant technology' . . . . . 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 $SH3 1.0 mM '[U-95% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_Noesy_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N Noesy' _Sample_label . save_ save_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N Noesy' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N 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 7.4 0.1 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 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Txk SH3 domain' _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 86 8 GLN N N 118.502 . 1 2 86 8 GLN H H 7.611 . 1 3 86 8 GLN NE2 N 108.619 . 1 4 86 8 GLN HE21 H 6.656 . 2 5 86 8 GLN HE22 H 6.632 . 2 6 87 9 VAL N N 125.533 . 1 7 87 9 VAL H H 8.403 . 1 8 88 10 LYS N N 119.185 . 1 9 88 10 LYS H H 8.170 . 1 10 89 11 ALA N N 119.740 . 1 11 89 11 ALA H H 8.892 . 1 12 90 12 LEU N N 125.687 . 1 13 90 12 LEU H H 9.378 . 1 14 91 13 TYR N N 111.851 . 1 15 91 13 TYR H H 6.862 . 1 16 92 14 ASP N N 117.403 . 1 17 92 14 ASP H H 8.297 . 1 18 93 15 PHE N N 120.791 . 1 19 93 15 PHE H H 8.301 . 1 20 94 16 LEU N N 119.454 . 1 21 94 16 LEU H H 7.774 . 1 22 96 18 ARG N N 124.341 . 1 23 96 18 ARG H H 8.003 . 1 24 97 19 GLU N N 121.945 . 1 25 97 19 GLU H H 7.789 . 1 26 99 21 GLY N N 123.316 . 1 27 99 21 GLY H H 8.246 . 1 28 100 22 ASN N N 124.687 . 1 29 100 22 ASN H H 8.553 . 1 30 100 22 ASN ND2 N 111.043 . 1 31 100 22 ASN HD21 H 7.417 . 2 32 100 22 ASN HD22 H 6.742 . 2 33 101 23 LEU N N 115.012 . 1 34 101 23 LEU H H 9.011 . 1 35 102 24 ALA N N 118.885 . 1 36 102 24 ALA H H 8.732 . 1 37 103 25 LEU N N 123.451 . 1 38 103 25 LEU H H 8.646 . 1 39 104 26 LYS N N 121.102 . 1 40 104 26 LYS H H 8.019 . 1 41 105 27 ARG N N 126.841 . 1 42 105 27 ARG H H 9.144 . 1 43 106 28 ALA N N 122.245 . 1 44 106 28 ALA H H 8.298 . 1 45 107 29 GLU N N 122.248 . 1 46 107 29 GLU H H 8.904 . 1 47 108 30 GLU N N 118.502 . 1 48 108 30 GLU H H 7.611 . 1 49 109 31 TYR N N 121.127 . 1 50 109 31 TYR H H 8.912 . 1 51 110 32 LEU N N 115.572 . 1 52 110 32 LEU H H 8.633 . 1 53 111 33 ILE N N 130.998 . 1 54 111 33 ILE H H 8.263 . 1 55 112 34 LEU N N 124.983 . 1 56 112 34 LEU H H 8.603 . 1 57 113 35 GLU N N 122.209 . 1 58 113 35 GLU H H 8.488 . 1 59 114 36 ARG N N 124.937 . 1 60 114 36 ARG H H 8.949 . 1 61 115 37 CYS N N 118.946 . 1 62 115 37 CYS H H 8.215 . 1 63 116 38 ASP N N 126.222 . 1 64 116 38 ASP H H 8.884 . 1 65 118 40 HIS N N 116.321 . 1 66 118 40 HIS H H 8.787 . 1 67 119 41 TRP N N 122.440 . 1 68 119 41 TRP H H 8.398 . 1 69 119 41 TRP NE1 N 128.399 . 1 70 119 41 TRP HE1 H 9.995 . 2 71 120 42 TRP N N 124.528 . 1 72 120 42 TRP H H 9.077 . 1 73 120 42 TRP NE1 N 128.672 . 1 74 120 42 TRP HE1 H 9.497 . 2 75 121 43 LYS N N 123.022 . 1 76 121 43 LYS H H 8.914 . 1 77 122 44 ALA N N 131.440 . 1 78 122 44 ALA H H 9.473 . 1 79 123 45 ARG N N 118.800 . 1 80 123 45 ARG H H 9.148 . 1 81 124 46 ASP N N 126.528 . 1 82 124 46 ASP H H 9.070 . 1 83 125 47 ARG N N 116.486 . 1 84 125 47 ARG H H 8.848 . 1 85 126 48 PHE N N 120.096 . 1 86 126 48 PHE H H 8.134 . 1 87 127 49 GLY N N 107.713 . 1 88 127 49 GLY H H 8.121 . 1 89 128 50 ASN N N 121.872 . 1 90 128 50 ASN H H 8.926 . 1 91 128 50 ASN ND2 N 120.237 . 1 92 128 50 ASN HD21 H 9.256 . 2 93 128 50 ASN HD22 H 7.337 . 2 94 129 51 GLU N N 118.564 . 1 95 129 51 GLU H H 8.637 . 1 96 130 52 GLY N N 107.046 . 1 97 130 52 GLY H H 8.657 . 1 98 131 53 LEU N N 119.908 . 1 99 131 53 LEU H H 8.703 . 1 100 132 54 ILE N N 115.274 . 1 101 132 54 ILE H H 9.626 . 1 102 134 56 SER N N 121.061 . 1 103 134 56 SER H H 8.205 . 1 104 135 57 ASN N N 114.915 . 1 105 135 57 ASN H H 7.997 . 1 106 135 57 ASN ND2 N 111.859 . 1 107 135 57 ASN HD21 H 7.574 . 2 108 135 57 ASN HD22 H 6.862 . 2 109 136 58 TYR N N 119.255 . 1 110 136 58 TYR H H 7.743 . 1 111 137 59 VAL N N 109.227 . 1 112 137 59 VAL H H 7.153 . 1 113 138 60 THR N N 112.507 . 1 114 138 60 THR H H 8.551 . 1 115 139 61 GLU N N 115.595 . 1 116 139 61 GLU H H 7.507 . 1 117 140 62 ASN N N 122.045 . 1 118 140 62 ASN H H 8.667 . 1 119 140 62 ASN ND2 N 111.471 . 1 120 140 62 ASN HD21 H 7.472 . 2 121 140 62 ASN HD22 H 6.654 . 2 122 141 63 ARG N N 123.492 . 1 123 141 63 ARG H H 8.608 . 1 124 142 64 LEU N N 124.281 . 1 125 142 64 LEU H H 9.174 . 1 126 143 65 ALA N N 129.907 . 1 127 143 65 ALA H H 7.721 . 1 stop_ save_