data_17584 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H 13C 15N resonance assignment of CD4+ T cell-derived peptide Thp5 ; _BMRB_accession_number 17584 _BMRB_flat_file_name bmr17584.str _Entry_type original _Submission_date 2011-04-11 _Accession_date 2011-04-11 _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 PANDEY NISHANT K. . 2 BHAVESH NEEL S. . 3 DAS GOBARDHAN . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 89 "13C chemical shifts" 58 "15N chemical shifts" 19 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-08 update BMRB 'update entry citation' 2011-12-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'CD4+ T Cell-derived Novel Peptide Thp5 Induces Interleukin-4 Production in CD4+ T Cells to Direct T Helper 2 Cell Differentiation.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22130674 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Khan 'Mohd Moin' . . 2 Chatterjee Samit . . 3 Dwivedi 'Ved Prakash' . . 4 Pandey 'Nishant Kumar' . . 5 Singh Yogesh . . 6 Tousif Sultan . . 7 Bhavesh 'Neel Sarovar' . . 8 'Van Kaer' Luc . . 9 Das Jyoti . . 10 Das Gobardhan . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2830 _Page_last 2835 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Thp5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Thp5 $Thp5 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_Thp5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Thp5 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 22 _Mol_residue_sequence ; WRPYLQTEYYDVMTVISPPE FG ; loop_ _Residue_seq_code _Residue_label 1 TRP 2 ARG 3 PRO 4 TYR 5 LEU 6 GLN 7 THR 8 GLU 9 TYR 10 TYR 11 ASP 12 VAL 13 MET 14 THR 15 VAL 16 ILE 17 SER 18 PRO 19 PRO 20 GLU 21 PHE 22 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-26 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 2LMA "Solution Structure Of Cd4+ T Cell Derived Peptide Thp5" 100.00 22 100.00 100.00 1.51e-06 REF NP_081603 "T helper cell-induced peptide 5 [Mus musculus]" 100.00 43 100.00 100.00 4.61e-07 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Thp5 'house mouse' 10090 Eukaryota Metazoa 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 $Thp5 '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 $Thp5 800 uM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' D2O 5 % '[U-100% 2H]' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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 $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.8 . pH pressure 1 . atm 'ionic strength' 150 . mM 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 H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 . 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' '2D 1H-13C HSQC' '2D 1H-1H NOESY' '2D 1H-1H TOCSY' 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 Thp5 _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 TRP HB3 H 3.26 0.02 1 2 1 1 TRP HD1 H 7.28 0.02 1 3 1 1 TRP HE1 H 10.16 0.02 1 4 1 1 TRP HE3 H 7.47 0.02 1 5 1 1 TRP HZ2 H 7.45 0.02 1 6 1 1 TRP HZ3 H 7.07 0.02 1 7 1 1 TRP HH2 H 7.19 0.02 1 8 1 1 TRP CB C 30.0 0.3 1 9 1 1 TRP CD1 C 130.0 0.3 1 10 1 1 TRP CE3 C 121.6 0.3 1 11 1 1 TRP CZ2 C 114.7 0.3 1 12 1 1 TRP CZ3 C 122.0 0.3 1 13 1 1 TRP CH2 C 124.6 0.3 1 14 1 1 TRP NE1 N 130.5 0.3 1 15 2 2 ARG H H 8.30 0.02 1 16 2 2 ARG HA H 4.60 0.02 1 17 2 2 ARG HD2 H 3.05 0.02 1 18 2 2 ARG CA C 57.7 0.3 1 19 2 2 ARG CD C 43.4 0.3 1 20 2 2 ARG N N 121.6 0.3 1 21 4 4 TYR H H 8.31 0.02 1 22 4 4 TYR HA H 4.80 0.02 1 23 4 4 TYR HB2 H 3.78 0.02 2 24 4 4 TYR HB3 H 3.83 0.02 2 25 4 4 TYR N N 115.5 0.3 1 26 5 5 LEU H H 8.04 0.02 1 27 5 5 LEU HA H 4.16 0.02 1 28 5 5 LEU HB2 H 1.49 0.02 1 29 5 5 LEU HG H 1.40 0.02 1 30 5 5 LEU HD1 H 0.84 0.02 1 31 5 5 LEU HD2 H 0.79 0.02 1 32 5 5 LEU CA C 56.8 0.3 1 33 5 5 LEU CB C 42.6 0.3 1 34 5 5 LEU CG C 26.6 0.3 1 35 5 5 LEU CD1 C 24.6 0.3 1 36 5 5 LEU CD2 C 23.5 0.3 1 37 5 5 LEU N N 124.2 0.3 1 38 6 6 GLN H H 8.58 0.02 1 39 6 6 GLN HA H 4.13 0.02 1 40 6 6 GLN HB3 H 1.85 0.02 1 41 6 6 GLN HG2 H 2.13 0.02 2 42 6 6 GLN HG3 H 2.02 0.02 2 43 6 6 GLN CA C 56.7 0.3 1 44 6 6 GLN CB C 27.0 0.3 1 45 6 6 GLN CG C 32.5 0.3 1 46 6 6 GLN N N 120.8 0.3 1 47 7 7 THR H H 8.03 0.02 1 48 7 7 THR HA H 4.44 0.02 1 49 7 7 THR HB H 4.22 0.02 1 50 7 7 THR HG2 H 1.12 0.02 1 51 7 7 THR CA C 57.6 0.3 1 52 7 7 THR CG2 C 21.6 0.3 1 53 7 7 THR N N 114.7 0.3 1 54 8 8 GLU H H 8.32 0.02 1 55 8 8 GLU HA H 4.21 0.02 1 56 8 8 GLU HB2 H 1.84 0.02 1 57 8 8 GLU HG2 H 2.09 0.02 1 58 8 8 GLU CB C 30.2 0.3 1 59 8 8 GLU CG C 36.0 0.3 1 60 8 8 GLU N N 122.6 0.3 1 61 9 9 TYR H H 8.09 0.02 1 62 9 9 TYR HA H 4.43 0.02 1 63 9 9 TYR HB2 H 2.90 0.02 2 64 9 9 TYR HB3 H 2.84 0.02 2 65 9 9 TYR HD1 H 6.98 0.02 1 66 9 9 TYR HE1 H 6.76 0.02 1 67 9 9 TYR CA C 57.6 0.3 1 68 9 9 TYR CB C 39.1 0.3 1 69 9 9 TYR CD2 C 133.2 0.3 1 70 9 9 TYR CE1 C 118.3 0.3 1 71 9 9 TYR N N 120.7 0.3 1 72 10 10 TYR H H 7.85 0.02 1 73 10 10 TYR HA H 4.45 0.02 1 74 10 10 TYR HB2 H 2.84 0.02 2 75 10 10 TYR HB3 H 2.97 0.02 2 76 10 10 TYR HD1 H 7.04 0.02 1 77 10 10 TYR HE1 H 6.78 0.02 1 78 10 10 TYR CA C 57.6 0.3 1 79 10 10 TYR CB C 39.1 0.3 1 80 10 10 TYR CD2 C 133.4 0.3 1 81 10 10 TYR CE1 C 118.2 0.3 1 82 10 10 TYR N N 121.8 0.3 1 83 11 11 ASP H H 8.19 0.02 1 84 11 11 ASP HA H 4.53 0.02 1 85 11 11 ASP HB2 H 2.66 0.02 2 86 11 11 ASP HB3 H 2.55 0.02 2 87 11 11 ASP CA C 54.0 0.3 1 88 11 11 ASP CB C 41.4 0.3 1 89 11 11 ASP N N 122.2 0.3 1 90 12 12 VAL H H 7.99 0.02 1 91 12 12 VAL HA H 4.04 0.02 1 92 12 12 VAL HB H 2.10 0.02 1 93 12 12 VAL HG2 H 0.91 0.02 1 94 12 12 VAL CA C 62.5 0.3 1 95 12 12 VAL CB C 32.4 0.3 1 96 12 12 VAL CG2 C 20.6 0.3 1 97 12 12 VAL N N 120.2 0.3 1 98 13 13 MET H H 8.38 0.02 1 99 13 13 MET HA H 4.48 0.02 1 100 13 13 MET HB2 H 2.48 0.02 1 101 13 13 MET HG3 H 2.58 0.02 1 102 13 13 MET HE H 2.04 0.02 1 103 13 13 MET CA C 55.5 0.3 1 104 13 13 MET CB C 32.2 0.3 1 105 13 13 MET CG C 32.2 0.3 1 106 13 13 MET CE C 16.7 0.3 1 107 13 13 MET N N 122.5 0.3 1 108 14 14 THR H H 8.06 0.02 1 109 14 14 THR HA H 4.26 0.02 1 110 14 14 THR HB H 4.11 0.02 1 111 14 14 THR HG2 H 1.15 0.02 1 112 14 14 THR CA C 62.2 0.3 1 113 14 14 THR CB C 69.6 0.3 1 114 14 14 THR CG2 C 21.6 0.3 1 115 14 14 THR N N 116.3 0.3 1 116 15 15 VAL H H 8.13 0.02 1 117 15 15 VAL HA H 4.09 0.02 1 118 15 15 VAL HB H 2.02 0.02 1 119 15 15 VAL HG1 H 0.87 0.02 1 120 15 15 VAL HG2 H 0.90 0.02 1 121 15 15 VAL CA C 62.4 0.3 1 122 15 15 VAL CB C 36.0 0.3 1 123 15 15 VAL CG1 C 21.0 0.3 1 124 15 15 VAL CG2 C 20.6 0.3 1 125 15 15 VAL N N 123.8 0.3 1 126 16 16 ILE H H 8.28 0.02 1 127 16 16 ILE HA H 4.17 0.02 1 128 16 16 ILE HB H 1.90 0.02 1 129 16 16 ILE HG12 H 1.43 0.02 2 130 16 16 ILE HG13 H 1.16 0.02 2 131 16 16 ILE HG2 H 0.86 0.02 1 132 16 16 ILE HD1 H 0.80 0.02 1 133 16 16 ILE CA C 60.7 0.3 1 134 16 16 ILE CB C 38.6 0.3 1 135 16 16 ILE CG1 C 26.8 0.3 1 136 16 16 ILE CG2 C 17.3 0.3 1 137 16 16 ILE CD1 C 12.5 0.3 1 138 16 16 ILE N N 125.7 0.3 1 139 17 17 SER H H 8.42 0.02 1 140 17 17 SER HA H 4.70 0.02 1 141 17 17 SER HB2 H 3.82 0.02 2 142 17 17 SER HB3 H 3.70 0.02 2 143 17 17 SER CA C 56.3 0.3 1 144 17 17 SER CB C 63.2 0.3 1 145 17 17 SER N N 122.3 0.3 1 146 20 20 GLU H H 8.30 0.02 1 147 20 20 GLU HA H 4.28 0.02 1 148 20 20 GLU HB2 H 1.96 0.02 1 149 20 20 GLU HG2 H 2.30 0.02 1 150 20 20 GLU CA C 56.1 0.3 1 151 20 20 GLU CB C 27.4 0.3 1 152 20 20 GLU CG C 33.9 0.3 1 153 20 20 GLU N N 121.0 0.3 1 154 21 21 PHE H H 8.02 0.02 1 155 21 21 PHE HA H 4.21 0.02 1 156 21 21 PHE HB3 H 2.96 0.02 1 157 21 21 PHE HD1 H 7.03 0.02 1 158 21 21 PHE CA C 56.5 0.3 1 159 21 21 PHE CB C 38.7 0.3 1 160 21 21 PHE CD2 C 133.2 0.3 1 161 21 21 PHE N N 119.9 0.3 1 162 22 22 GLY H H 8.31 0.02 1 163 22 22 GLY HA2 H 3.85 0.02 2 164 22 22 GLY HA3 H 3.77 0.02 2 165 22 22 GLY CA C 44.8 0.3 1 166 22 22 GLY N N 112.1 0.3 1 stop_ save_