data_1851 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Conformational and Receptor Binding Properties of Human EGF and TGF-alpha Second Loop Fragments ; _BMRB_accession_number 1851 _BMRB_flat_file_name bmr1851.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 Ferretti James A. . 3 Niu Chien-Hua . . 4 Lokeshwar Vinatu . . 5 Clarke Robert . . 6 Katz Deborah . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-15 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, Ferretti, James A., Niu, Chien-Hua, Lokeshwar, Vinatu, Clarke, Robert, Katz, Deborah, "Conformational and Receptor Binding Properties of Human EGF and TGF-alpha Second Loop Fragments," J. Mol. Recogn. 1 (3), 116-123 (1988). ; _Citation_title ; Conformational and Receptor Binding Properties of Human EGF and TGF-alpha Second Loop Fragments ; _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 Ferretti James A. . 3 Niu Chien-Hua . . 4 Lokeshwar Vinatu . . 5 Clarke Robert . . 6 Katz Deborah . . stop_ _Journal_abbreviation 'J. Mol. Recogn.' _Journal_volume 1 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 116 _Page_last 123 _Year 1988 _Details . save_ ################################## # Molecular system description # ################################## save_system_epidermal_growth_factor _Saveframe_category molecular_system _Mol_system_name 'epidermal growth factor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'epidermal growth factor' $epidermal_growth_factor stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_epidermal_growth_factor _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'epidermal growth factor' _Name_variant '[Ala20]EGF residues 14-31' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 18 _Mol_residue_sequence CLHDGVAMYIEALDKYAC loop_ _Residue_seq_code _Residue_label 1 CYS 2 LEU 3 HIS 4 ASP 5 GLY 6 VAL 7 ALA 8 MET 9 TYR 10 ILE 11 GLU 12 ALA 13 LEU 14 ASP 15 LYS 16 TYR 17 ALA 18 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 $epidermal_growth_factor 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 $epidermal_growth_factor '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 3.14 . 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 'epidermal growth factor' _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 4.36 . 1 2 . 1 CYS HB2 H 3.05 . 2 3 . 1 CYS HB3 H 3.33 . 2 4 . 2 LEU H H 8.95 . 1 5 . 2 LEU HA H 4.34 . 1 6 . 2 LEU HB2 H 1.38 . 1 7 . 2 LEU HB3 H 1.38 . 1 8 . 2 LEU HG H 1.53 . 1 9 . 2 LEU HD1 H .79 . 1 10 . 2 LEU HD2 H .79 . 1 11 . 3 HIS H H 8.78 . 1 12 . 3 HIS HA H 4.64 . 1 13 . 3 HIS HB2 H 3.11 . 2 14 . 3 HIS HB3 H 3.18 . 2 15 . 3 HIS HD2 H 7.2 . 1 16 . 3 HIS HE1 H 8.56 . 1 17 . 4 ASP H H 8.54 . 1 18 . 4 ASP HA H 4.57 . 1 19 . 4 ASP HB2 H 2.81 . 1 20 . 4 ASP HB3 H 2.81 . 1 21 . 5 GLY H H 8.33 . 1 22 . 5 GLY HA2 H 3.9 . 1 23 . 5 GLY HA3 H 3.9 . 1 24 . 6 VAL H H 7.9 . 1 25 . 6 VAL HA H 4.11 . 1 26 . 6 VAL HB H 2.05 . 1 27 . 6 VAL HG1 H .89 . 1 28 . 6 VAL HG2 H .89 . 1 29 . 7 ALA H H 8.37 . 1 30 . 7 ALA HA H 4.28 . 1 31 . 7 ALA HB H 1.29 . 1 32 . 8 MET H H 8.26 . 1 33 . 8 MET HA H 4.42 . 1 34 . 8 MET HB2 H 1.92 . 1 35 . 8 MET HB3 H 1.92 . 1 36 . 8 MET HG2 H 2.41 . 1 37 . 8 MET HG3 H 2.41 . 1 38 . 8 MET HE H 2.2 . 1 39 . 9 TYR H H 8.25 . 1 40 . 9 TYR HA H 4.38 . 1 41 . 9 TYR HB2 H 2.84 . 2 42 . 9 TYR HB3 H 2.92 . 2 43 . 10 ILE H H 7.9 . 1 44 . 10 ILE HA H 4.02 . 1 45 . 10 ILE HB H 1.77 . 1 46 . 10 ILE HG12 H 1.16 . 1 47 . 10 ILE HG13 H 1.16 . 1 48 . 10 ILE HG2 H .8 . 1 49 . 10 ILE HD1 H .72 . 1 50 . 11 GLU H H 8.31 . 1 51 . 11 GLU HA H 4 . 1 52 . 11 GLU HB2 H 2.02 . 1 53 . 11 GLU HB3 H 2.02 . 1 54 . 11 GLU HG2 H 2.41 . 1 55 . 11 GLU HG3 H 2.41 . 1 56 . 12 ALA H H 8.3 . 1 57 . 12 ALA HA H 4.13 . 1 58 . 12 ALA HB H 1.33 . 1 59 . 13 LEU H H 7.58 . 1 60 . 13 LEU HA H 4.28 . 1 61 . 13 LEU HB2 H 1.53 . 1 62 . 13 LEU HB3 H 1.53 . 1 63 . 13 LEU HG H 1.53 . 1 64 . 13 LEU HD1 H .8 . 1 65 . 13 LEU HD2 H .8 . 1 66 . 14 ASP H H 8.03 . 1 67 . 14 ASP HA H 4.45 . 1 68 . 14 ASP HB2 H 2.76 . 2 69 . 14 ASP HB3 H 2.91 . 2 70 . 15 LYS H H 7.72 . 1 71 . 15 LYS HA H 4.25 . 1 72 . 15 LYS HB2 H 1.59 . 1 73 . 15 LYS HB3 H 1.59 . 1 74 . 15 LYS HG2 H 1.1 . 1 75 . 15 LYS HG3 H 1.1 . 1 76 . 15 LYS HD2 H 1.54 . 1 77 . 15 LYS HD3 H 1.54 . 1 78 . 15 LYS HE2 H 2.88 . 1 79 . 15 LYS HE3 H 2.88 . 1 80 . 16 TYR H H 8.08 . 1 81 . 16 TYR HA H 4.65 . 1 82 . 16 TYR HB2 H 2.84 . 2 83 . 16 TYR HB3 H 3.01 . 2 84 . 17 ALA H H 8.25 . 1 85 . 17 ALA HA H 4.41 . 1 86 . 17 ALA HB H 1.36 . 1 87 . 18 CYS H H 8.15 . 1 88 . 18 CYS HA H 4.52 . 1 89 . 18 CYS HB2 H 3.06 . 2 90 . 18 CYS HB3 H 3.3 . 2 stop_ save_