data_674 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Physicochemical Characterization of Glucagon-Containing Lipid Micelles ; _BMRB_accession_number 674 _BMRB_flat_file_name bmr674.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _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 Bosch Chris . . 2 Brown Larry R. . 3 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 47 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' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 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 ; Bosch, Chris, Brown, Larry R., Wuthrich, Kurt, "Physicochemical Characterization of Glucagon-Containing Lipid Micelles," Biochim. Biophys. Acta 603, 298-312 (1980). ; _Citation_title 'Physicochemical Characterization of Glucagon-Containing Lipid Micelles' _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 Bosch Chris . . 2 Brown Larry R. . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 603 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 298 _Page_last 312 _Year 1980 _Details . save_ ################################## # Molecular system description # ################################## save_system_glucagon _Saveframe_category molecular_system _Mol_system_name glucagon _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label glucagon $glucagon stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_glucagon _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common glucagon _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; HSQGTFTSDYSKYLDSRRAQ DFVQWLMNT ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 SER 3 GLN 4 GLY 5 THR 6 PHE 7 THR 8 SER 9 ASP 10 TYR 11 SER 12 LYS 13 TYR 14 LEU 15 ASP 16 SER 17 ARG 18 ARG 19 ALA 20 GLN 21 ASP 22 PHE 23 VAL 24 GLN 25 TRP 26 LEU 27 MET 28 ASN 29 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-25 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 BMRB 23 glucagon 100.00 29 100.00 100.00 9.16e-12 PDB 1GCN "X-Ray Analysis Of Glucagon And Its Relationship To Receptor Binding" 100.00 29 100.00 100.00 9.16e-12 PDB 1KX6 "Nmr Solution Structure Of Glucagon In A Lipid-Water Interphase" 96.55 29 100.00 100.00 1.19e-10 PDB 2G49 "Crystal Structure Of Human Insulin-Degrading Enzyme In Complex With Glucagon" 100.00 29 100.00 100.00 9.16e-12 GB EAX11357 "glucagon, isoform CRA_b [Homo sapiens]" 100.00 197 100.00 100.00 2.57e-11 PRF 0810207A "glucagon 37" 100.00 37 100.00 100.00 4.65e-12 PRF 570104A glucagon 100.00 29 100.00 100.00 9.16e-12 PRF 711649A glucagon 100.00 29 100.00 100.00 9.16e-12 PRF 720483A glucagon 100.00 29 100.00 100.00 9.16e-12 PRF 720967A glucagon 100.00 29 100.00 100.00 9.16e-12 SP P68273 "RecName: Full=Glucagon [Camelus dromedarius]" 100.00 29 100.00 100.00 9.16e-12 SP P68274 "RecName: Full=Glucagon [Oryctolagus cuniculus]" 100.00 29 100.00 100.00 9.16e-12 SP P68275 "RecName: Full=Glucagon [Saimiri sciureus]" 100.00 29 100.00 100.00 9.16e-12 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $glucagon pig 9823 Eukaryota Metazoa Sus scrofa 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 $glucagon '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 7 . na temperature 310 . 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 TSP 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 glucagon _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 HIS HD2 H 7.04 . 1 2 . 1 HIS HE1 H 7.81 . 1 3 . 6 PHE HD1 H 7.25 . 1 4 . 6 PHE HD2 H 7.25 . 1 5 . 6 PHE HE1 H 7.25 . 1 6 . 6 PHE HE2 H 7.25 . 1 7 . 6 PHE HZ H 7.25 . 1 8 . 10 TYR HD1 H 7.19 . 3 9 . 10 TYR HD2 H 7.06 . 3 10 . 10 TYR HE1 H 6.84 . 1 11 . 10 TYR HE2 H 6.84 . 1 12 . 12 LYS HD2 H 1.5 . 1 13 . 12 LYS HD3 H 1.5 . 1 14 . 12 LYS HE2 H 2.8 . 1 15 . 12 LYS HE3 H 2.8 . 1 16 . 13 TYR HD1 H 7.19 . 3 17 . 13 TYR HD2 H 7.06 . 3 18 . 13 TYR HE1 H 6.84 . 1 19 . 13 TYR HE2 H 6.84 . 1 20 . 14 LEU HG H 1.8 . 1 21 . 14 LEU HD1 H .96 . 2 22 . 14 LEU HD2 H .88 . 2 23 . 19 ALA HA H 4.17 . 1 24 . 19 ALA HB H 1.56 . 1 25 . 22 PHE HD1 H 7.25 . 1 26 . 22 PHE HD2 H 7.25 . 1 27 . 22 PHE HE1 H 7.25 . 1 28 . 22 PHE HE2 H 7.25 . 1 29 . 22 PHE HZ H 7.25 . 1 30 . 23 VAL HA H 3.5 . 1 31 . 23 VAL HB H 2.26 . 1 32 . 23 VAL HG1 H 1.21 . 2 33 . 23 VAL HG2 H 1.02 . 2 34 . 25 TRP HA H 4.31 . 1 35 . 25 TRP HB2 H 3.62 . 2 36 . 25 TRP HB3 H 3.32 . 2 37 . 25 TRP HD1 H 7.38 . 1 38 . 25 TRP HE3 H 7.34 . 1 39 . 25 TRP HZ2 H 7.56 . 1 40 . 25 TRP HZ3 H 6.91 . 1 41 . 25 TRP HH2 H 7.13 . 1 42 . 26 LEU HG H 1.58 . 1 43 . 26 LEU HD1 H .72 . 1 44 . 26 LEU HD2 H .72 . 1 45 . 27 MET HE H 2.04 . 1 46 . 29 THR HB H 4.11 . 1 47 . 29 THR HG2 H 1.05 . 1 stop_ save_