data_517 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformation of the Second Disulfide Loop in Human Transforming Growth Factor-alpha Studied by Two-Dimensional NMR Spectroscopy ; _BMRB_accession_number 517 _BMRB_flat_file_name bmr517.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Han Kyou-Hoon . . 2 Niu Chien-Hua . . 3 Roller Peter P. . 4 Ferretti James A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Han, Kyou-Hoon, Niu, Chien-Hua, Roller, Peter P., Ferretti, James A., "Conformation of the Second Disulfide Loop in Human Transforming Growth Factor-alpha Studied by Two-Dimensional NMR Spectroscopy," Biopolymers 27, 923-937 (1988). ; _Citation_title ; Conformation of the Second Disulfide Loop in Human Transforming Growth Factor-alpha Studied by Two-Dimensional NMR Spectroscopy ; _Citation_status published _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 Han Kyou-Hoon . . 2 Niu Chien-Hua . . 3 Roller Peter P. . 4 Ferretti James A. . stop_ _Journal_abbreviation Biopolymers _Journal_volume 27 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 923 _Page_last 937 _Year 1988 _Details . save_ ################################## # Molecular system description # ################################## save_system_transforming_growth_factor_alpha _Saveframe_category molecular_system _Mol_system_name 'transforming growth factor alpha' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'transforming growth factor alpha' $transforming_growth_factor_alpha stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_transforming_growth_factor_alpha _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'transforming growth factor alpha' _Name_variant 'cyclic 16-32' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 17 _Mol_residue_sequence CFHGTARFLVQEDKPAC loop_ _Residue_seq_code _Residue_label 1 CYS 2 PHE 3 HIS 4 GLY 5 THR 6 ALA 7 ARG 8 PHE 9 LEU 10 VAL 11 GLN 12 GLU 13 ASP 14 LYS 15 PRO 16 ALA 17 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2005-12-09 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $transforming_growth_factor_alpha human 9606 Eukaryota Metazoa Homo sapiens generic 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 $transforming_growth_factor_alpha 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 2.95 . na temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label DSS H . . ppm 0 . . . . . $entry_citation $entry_citation 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'transforming growth factor alpha' _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 CYS HA H 4.29 . 1 2 . 1 CYS HB2 H 3.09 . 2 3 . 1 CYS HB3 H 3.21 . 2 4 . 2 PHE H H 8.98 . 1 5 . 2 PHE HA H 4.64 . 1 6 . 2 PHE HB2 H 3.01 . 1 7 . 2 PHE HB3 H 3.01 . 1 8 . 2 PHE HD1 H 7.3 . 1 9 . 2 PHE HD2 H 7.3 . 1 10 . 2 PHE HE1 H 7.3 . 1 11 . 2 PHE HE2 H 7.3 . 1 12 . 2 PHE HZ H 7.3 . 1 13 . 3 HIS H H 8.62 . 1 14 . 3 HIS HA H 4.58 . 1 15 . 3 HIS HB2 H 3.05 . 2 16 . 3 HIS HB3 H 3.16 . 2 17 . 3 HIS HD2 H 7.2 . 1 18 . 3 HIS HE1 H 8.56 . 1 19 . 4 GLY H H 7.77 . 1 20 . 4 GLY HA2 H 3.91 . 1 21 . 4 GLY HA3 H 3.91 . 1 22 . 5 THR H H 8.16 . 1 23 . 5 THR HA H 4.3 . 1 24 . 5 THR HB H 4.26 . 1 25 . 5 THR HG2 H 1.2 . 1 26 . 6 ALA H H 8.31 . 1 27 . 6 ALA HA H 4.24 . 1 28 . 6 ALA HB H 1.33 . 1 29 . 7 ARG H H 8.22 . 1 30 . 7 ARG HA H 4.14 . 1 31 . 7 ARG HB2 H 1.61 . 1 32 . 7 ARG HB3 H 1.61 . 1 33 . 7 ARG HG2 H 1.41 . 1 34 . 7 ARG HG3 H 1.41 . 1 35 . 7 ARG HD2 H 3.07 . 1 36 . 7 ARG HD3 H 3.07 . 1 37 . 7 ARG HE H 7.1 . 1 38 . 8 PHE H H 8 . 1 39 . 8 PHE HA H 4.57 . 1 40 . 8 PHE HB2 H 3.11 . 2 41 . 8 PHE HB3 H 2.98 . 2 42 . 8 PHE HD1 H 7.2 . 1 43 . 8 PHE HD2 H 7.2 . 1 44 . 8 PHE HE1 H 7.2 . 1 45 . 8 PHE HE2 H 7.2 . 1 46 . 8 PHE HZ H 7.2 . 1 47 . 9 LEU H H 8.07 . 1 48 . 9 LEU HA H 4.27 . 1 49 . 9 LEU HB2 H 1.53 . 1 50 . 9 LEU HB3 H 1.53 . 1 51 . 9 LEU HG H 1.6 . 1 52 . 9 LEU HD1 H .83 . 1 53 . 9 LEU HD2 H .83 . 1 54 . 10 VAL H H 8 . 1 55 . 10 VAL HA H 4.01 . 1 56 . 10 VAL HB H 2.03 . 1 57 . 10 VAL HG1 H .92 . 1 58 . 10 VAL HG2 H .92 . 1 59 . 11 GLN H H 8.37 . 1 60 . 11 GLN HA H 4.24 . 1 61 . 11 GLN HB2 H 2 . 1 62 . 11 GLN HB3 H 2 . 1 63 . 11 GLN HG2 H 2.31 . 1 64 . 11 GLN HG3 H 2.31 . 1 65 . 12 GLU H H 8.22 . 1 66 . 12 GLU HA H 4.24 . 1 67 . 12 GLU HB2 H 1.92 . 2 68 . 12 GLU HB3 H 2.04 . 2 69 . 12 GLU HG2 H 2.38 . 1 70 . 12 GLU HG3 H 2.38 . 1 71 . 13 ASP H H 8.34 . 1 72 . 13 ASP HA H 4.57 . 1 73 . 13 ASP HB2 H 2.83 . 2 74 . 13 ASP HB3 H 2.94 . 2 75 . 14 LYS H H 7.92 . 1 76 . 14 LYS HA H 4.57 . 1 77 . 14 LYS HB2 H 1.63 . 2 78 . 14 LYS HB3 H 1.73 . 2 79 . 14 LYS HG2 H 1.35 . 1 80 . 14 LYS HG3 H 1.35 . 1 81 . 14 LYS HD2 H 1.61 . 1 82 . 14 LYS HD3 H 1.61 . 1 83 . 14 LYS HE2 H 2.94 . 1 84 . 14 LYS HE3 H 2.94 . 1 85 . 14 LYS HZ H 7.51 . 1 86 . 15 PRO HA H 4.39 . 1 87 . 15 PRO HB2 H 1.96 . 2 88 . 15 PRO HB3 H 2.25 . 2 89 . 15 PRO HG2 H 1.96 . 1 90 . 15 PRO HG3 H 1.96 . 1 91 . 15 PRO HD2 H 3.69 . 2 92 . 15 PRO HD3 H 3.75 . 2 93 . 16 ALA H H 8.42 . 1 94 . 16 ALA HA H 4.33 . 1 95 . 16 ALA HB H 1.39 . 1 96 . 17 CYS H H 8.16 . 1 97 . 17 CYS HA H 4.53 . 1 98 . 17 CYS HB2 H 3.05 . 2 99 . 17 CYS HB3 H 3.24 . 2 stop_ save_