data_5302 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; High-Resolution Structure and Localization of Amylin Nucleation Site in Detergent Micelles ; _BMRB_accession_number 5302 _BMRB_flat_file_name bmr5302.str _Entry_type original _Submission_date 2002-02-25 _Accession_date 2002-02-25 _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 Mascioni A. . . 2 Porcelli F. . . 3 Ilangovan U. . . 4 Ramamoorthy A. . . 5 Veglia G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count coupling_constants 1 stop_ loop_ _Data_type _Data_type_count "coupling constants" 7 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-06-10 original author . stop_ _Original_release_date 2003-06-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational Preferences of the Amylin Nucleation Site in SDS Micelles: An NMR Study ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22602215 _PubMed_ID 12717720 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mascioni A. . . 2 Porcelli F. . . 3 Ilangovan U. . . 4 Ramamoorthy A. . . 5 Veglia G. . . stop_ _Journal_abbreviation Biopolymers _Journal_volume 69 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 29 _Page_last 41 _Year 2003 _Details . loop_ _Keyword amylin hIAPP micelles orientation 'solution NMR' stop_ save_ ################################## # Molecular system description # ################################## save_system_amylin _Saveframe_category molecular_system _Mol_system_name 'Islet amyloid polypeptide' _Abbreviation_common amylin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Islet amyloid polypeptide' $amylin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_amylin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Islet amyloid polypeptide' _Abbreviation_common amylin _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 10 _Mol_residue_sequence SNNFGAILSS loop_ _Residue_seq_code _Residue_label 1 SER 2 ASN 3 ASN 4 PHE 5 GLY 6 ALA 7 ILE 8 LEU 9 SER 10 SER stop_ _Sequence_homology_query_date 2005-11-24 _Sequence_homology_query_revised_last_date 2003-06-19 save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $amylin Human 9606 Eukaryota Metazoa Homo sapiens 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 $amylin 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type Bi-cells _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $amylin . mM . 'PBS buffer' 20 mM . SDS 100 mM [U-2H] H2O . % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.851 loop_ _Task refinement 'structure solution' stop_ _Details Brunger save_ save_sparky _Saveframe_category software _Name SPARKY _Version 1.1 loop_ _Task 'data analysis' stop_ _Details Gottard save_ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 1.1 loop_ _Task processing stop_ _Details Delaglio save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_2D_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4 . n/a pressure 1 . atm temperature 298 . K stop_ save_ ######################## # Coupling constants # ######################## save_J-values_set_1 _Saveframe_category coupling_constants _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name 'Islet amyloid polypeptide' _Text_data_format . _Text_data . loop_ _Coupling_constant_ID _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 1 3JHNHA 2 ASN H 2 ASN HA 9.6 . . 0.5 2 3JHNHA 4 PHE H 4 PHE HA 8.0 . . 0.5 3 3JHNHA 6 ALA H 6 ALA HA 7.2 . . 0.5 4 3JHNHA 7 ILE H 7 ILE HA 8.0 . . 0.5 5 3JHNHA 8 LEU H 8 LEU HA 8.0 . . 0.5 6 3JHNHA 9 SER H 9 SER HA 8.0 . . 0.5 7 3JHNHA 10 SER H 10 SER HA 8.0 . . 0.5 stop_ save_