data_6598 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Mouse Doppel 1-30 peptide ; _BMRB_accession_number 6598 _BMRB_flat_file_name bmr6598.str _Entry_type original _Submission_date 2005-04-14 _Accession_date 2005-04-28 _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 Papadopoulos Evangelos . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-02-23 original author . stop_ _Original_release_date 2006-02-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Solution Structure of the Peptide Fragment 1-30, Derived from Unprocessed Mouse Doppel Protein, in DHPC Micelles ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16388591 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Papadopoulos Evangelos . . 2 Oglecka Kamila . . 3 Maler Lena . . 4 Jarvet J?ri . . 5 Wright Peter E. . 6 Dyson H. Jane . 7 Graslund Astrid . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 45 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 159 _Page_last 166 _Year 2006 _Details . loop_ _Keyword 'transmembrane helix' DHPC 'mouse Doppel' stop_ save_ ################################## # Molecular system description # ################################## save_system_mDpl _Saveframe_category molecular_system _Mol_system_name 'Prion-like protein doppel' _Abbreviation_common mDpl _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Prion-like protein doppel' $mDpl stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_mDpl _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'mouse Doppel' _Abbreviation_common mDpl _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 30 _Mol_residue_sequence ; MKNRLGTWWVAILCMLLASH LSTVKARGIK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 LYS 3 ASN 4 ARG 5 LEU 6 GLY 7 THR 8 TRP 9 TRP 10 VAL 11 ALA 12 ILE 13 LEU 14 CYS 15 MET 16 LEU 17 LEU 18 ALA 19 SER 20 HIS 21 LEU 22 SER 23 THR 24 VAL 25 LYS 26 ALA 27 ARG 28 GLY 29 ILE 30 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1Z65 "Mouse Doppel 1-30 Peptide" 100.00 30 100.00 100.00 3.13e-11 DBJ BAC31436 "unnamed protein product [Mus musculus]" 100.00 179 100.00 100.00 6.12e-11 DBJ BAE36166 "unnamed protein product [Mus musculus]" 100.00 179 100.00 100.00 6.12e-11 GB AAD52000 "prion-like protein [Mus musculus]" 100.00 179 100.00 100.00 6.12e-11 GB AAF02544 "prion protein-like protein Dpl [Mus musculus]" 100.00 179 100.00 100.00 6.12e-11 GB AAF02545 "prion protein-like protein Dpl [Mus musculus]" 100.00 179 100.00 100.00 6.37e-11 GB AAF09196 "prion protein-like protein [Mus musculus]" 100.00 179 100.00 100.00 6.12e-11 GB AAF09197 "prion protein-like protein [Mus musculus]" 100.00 179 100.00 100.00 6.12e-11 REF NP_001119810 "prion-like protein doppel precursor [Mus musculus]" 100.00 179 100.00 100.00 6.12e-11 REF NP_001265186 "prion-like protein doppel precursor [Mus musculus]" 100.00 179 100.00 100.00 6.12e-11 REF NP_001265187 "prion protein gene complex [Mus musculus]" 100.00 197 100.00 100.00 7.13e-11 REF NP_001265188 "prion protein gene complex [Mus musculus]" 100.00 197 100.00 100.00 7.13e-11 REF NP_001265449 "prion-like protein doppel precursor [Mus musculus]" 100.00 179 100.00 100.00 6.12e-11 SP Q9QUG3 "RecName: Full=Prion-like protein doppel; AltName: Full=Doppelganger; AltName: Full=PrPLP; Flags: Precursor [Mus musculus]" 100.00 179 100.00 100.00 6.12e-11 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $mDpl 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 $mDpl 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type micelles _Details 'about 100mM DHPC-d22' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $mDpl 2 mM . DHPC 100 mM . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 2000.1 loop_ _Task 'data analysis' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_2 _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 '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 3.5 0.2 pH temperature 318 1 K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 internal direct . . . 1.0 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_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Prion-like protein doppel' _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 . 2 LYS HA H 4.353 0.02 1 2 . 2 LYS HB2 H 1.759 0.02 1 3 . 2 LYS HG2 H 1.455 0.02 1 4 . 3 ASN HA H 4.689 0.02 1 5 . 3 ASN HB2 H 2.84 0.02 1 6 . 3 ASN HD21 H 7.594 0.02 1 7 . 3 ASN HD22 H 6.764 0.02 1 8 . 4 ARG HA H 4.311 0.02 1 9 . 4 ARG HB2 H 1.775 0.02 1 10 . 4 ARG HG2 H 1.607 0.02 1 11 . 5 LEU HA H 4.255 0.02 1 12 . 5 LEU HB2 H 1.682 0.02 1 13 . 6 GLY HA2 H 3.976 0.02 2 14 . 7 THR HA H 3.955 0.02 1 15 . 7 THR HB H 4.068 0.02 1 16 . 8 TRP HA H 4.32 0.02 1 17 . 8 TRP HB2 H 3.251 0.02 1 18 . 8 TRP HD1 H 7.168 0.02 1 19 . 8 TRP HE1 H 10.077 0.02 1 20 . 8 TRP HE3 H 7.271 0.02 1 21 . 8 TRP HZ2 H 7.37 0.02 1 22 . 8 TRP HZ3 H 6.728 0.02 1 23 . 8 TRP HH2 H 6.988 0.02 1 24 . 9 TRP HA H 4.295 0.02 1 25 . 9 TRP HB2 H 3.222 0.02 1 26 . 9 TRP HD1 H 7.143 0.02 1 27 . 9 TRP HE1 H 10.016 0.02 1 28 . 9 TRP HE3 H 7.35 0.02 1 29 . 9 TRP HZ2 H 7.37 0.02 1 30 . 9 TRP HZ3 H 6.831 0.02 1 31 . 9 TRP HH2 H 6.986 0.02 1 32 . 10 VAL HA H 3.417 0.02 1 33 . 10 VAL HB H 2.05 0.02 1 34 . 11 ALA HA H 3.892 0.02 1 35 . 12 ILE HA H 3.653 0.02 1 36 . 12 ILE HB H 2.014 0.02 1 37 . 13 LEU HA H 3.972 0.02 1 38 . 13 LEU HB2 H 1.659 0.02 1 39 . 14 CYS HA H 3.98 0.02 1 40 . 14 CYS HB2 H 2.595 0.02 1 41 . 15 MET HA H 4.036 0.02 1 42 . 15 MET HB2 H 2.06 0.02 1 43 . 15 MET HG2 H 2.704 0.02 1 44 . 16 LEU HA H 4.077 0.02 1 45 . 16 LEU HG H 1.536 0.02 1 46 . 17 LEU HA H 4.059 0.02 1 47 . 17 LEU HB2 H 1.583 0.02 1 48 . 18 ALA HA H 4.012 0.02 1 49 . 19 SER HA H 4.226 0.02 1 50 . 20 HIS HA H 4.637 0.02 1 51 . 20 HIS HB2 H 3.188 0.02 1 52 . 20 HIS HD1 H 7.28 0.02 1 53 . 20 HIS HE1 H 8.67 0.02 1 54 . 21 LEU HA H 4.212 0.02 1 55 . 22 SER HA H 4.332 0.02 1 56 . 22 SER HB2 H 3.923 0.02 1 57 . 23 THR HA H 4.271 0.02 1 58 . 23 THR HB H 4.271 0.02 1 59 . 24 VAL HA H 3.963 0.02 1 60 . 24 VAL HB H 2.104 0.02 1 61 . 25 LYS HA H 4.234 0.02 1 62 . 25 LYS HB2 H 1.836 0.02 1 63 . 25 LYS HG2 H 1.421 0.02 1 64 . 26 ALA HA H 4.277 0.02 1 65 . 27 ARG HA H 4.292 0.02 1 66 . 27 ARG HB2 H 1.805 0.02 1 67 . 27 ARG HG2 H 1.659 0.02 1 68 . 28 GLY HA2 H 3.947 0.02 2 69 . 29 ILE HA H 4.185 0.02 1 70 . 29 ILE HB H 1.872 0.02 1 71 . 29 ILE HG12 H 1.439 0.02 1 72 . 30 LYS HA H 4.237 0.02 1 73 . 30 LYS HB2 H 1.832 0.02 1 74 . 30 LYS HD2 H 1.666 0.02 1 75 . 30 LYS HE2 H 2.988 0.02 1 stop_ save_