data_18014 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A Myristoylated Polyproline Type II Helix Functions as a Novel Fusion Peptide During Cell-Cell Membrane Fusion Induced by the Baboon Reovirus p15 FAST Protein ; _BMRB_accession_number 18014 _BMRB_flat_file_name bmr18014.str _Entry_type original _Submission_date 2011-10-21 _Accession_date 2011-10-21 _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 Top Deniz . . 2 Read Jolene . . 3 Dawe Sandra . . 4 Syvitski Raymond . . 5 Duncan Roy . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-11-29 original author . stop_ _Original_release_date 2011-11-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A Myristoylated Polyproline Type II Helix Functions as a Novel Fusion Peptide During Cell-Cell Membrane Fusion Induced by the Baboon Reovirus p15 FAST Protein' _Citation_status submitted _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 Top Deniz . . 2 Read Jolene . . 3 Dawe Sandra . . 4 Syvitski Raymond . . 5 Duncan Roy . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Myristoylated Polyproline Type II Helix' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Myristoylated Polyproline Type II Helix' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 2156.466 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 20 _Mol_residue_sequence ; GQRHSIVQPPAPPPNAFVEI ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLN 3 ARG 4 HIS 5 SER 6 ILE 7 VAL 8 GLN 9 PRO 10 PRO 11 ALA 12 PRO 13 PRO 14 PRO 15 ASN 16 ALA 17 PHE 18 VAL 19 GLU 20 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-04 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 2LKW "A Myristoylated Polyproline Type Ii Helix Functions As A Novel Fusion Peptide During Cell-Cell Membrane Fusion Induced By The B" 100.00 22 100.00 100.00 3.73e-04 GB AAL01373 "membrane fusion protein p15 [Baboon orthoreovirus]" 100.00 140 100.00 100.00 1.36e-04 REF YP_004769555 "membrane fusion protein p15 [Baboon orthoreovirus]" 100.00 140 100.00 100.00 1.36e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Orthoreovirus 10882 Viruses . Orthoreovirus . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity 'recombinant technology' . Desulfovibrio desulfuricans . baculovirus pEGFP-N1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 90/10 H2O/D2O no salt 5 mM peptide pH 6.0 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'geometry optimization' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_DRX _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 water H 1 protons ppm 4.7735 internal direct . . . 1 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H TOCSY' '2D DQF-COSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Myristoylated Polyproline Type II Helix' _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 1 GLY HA2 H 3.861 0.002 . 2 0 1 GLY H H 8.388 0.003 1 3 1 1 GLY HA3 H 3.861 0.002 . 4 2 2 GLN H H 8.473 0.003 1 5 2 2 GLN HA H 4.248 0.005 1 6 2 2 GLN HB2 H 1.888 0.007 2 7 2 2 GLN HB3 H 2.004 0.007 2 8 2 2 GLN HG2 H 2.299 0.003 . 9 2 2 GLN HG3 H 2.299 0.003 . 10 3 3 ARG H H 8.504 0.003 1 11 3 3 ARG HA H 4.220 0.003 1 12 3 3 ARG HB2 H 1.683 0.004 2 13 3 3 ARG HB3 H 1.742 0.005 2 14 3 3 ARG HG2 H 1.553 0.023 . 15 3 3 ARG HG3 H 1.553 0.023 . 16 3 3 ARG HD2 H 3.128 0.003 . 17 3 3 ARG HD3 H 3.128 0.003 . 18 3 3 ARG HE H 7.172 0.003 1 19 3 3 ARG HH11 H 6.446 0.002 . 20 3 3 ARG HH21 H 6.853 0.008 . 21 4 4 HIS H H 8.674 0.003 1 22 4 4 HIS HA H 4.700 0.003 1 23 4 4 HIS HB2 H 3.120 0.004 2 24 4 4 HIS HB3 H 3.215 0.005 2 25 4 4 HIS HD2 H 7.253 0.003 1 26 4 4 HIS HE1 H 8.563 0.001 1 27 5 5 SER H H 8.495 0.004 1 28 5 5 SER HA H 4.411 0.003 1 29 5 5 SER HB2 H 3.777 0.004 . 30 5 5 SER HB3 H 3.777 0.004 . 31 6 6 ILE H H 8.424 0.002 1 32 6 6 ILE HA H 4.165 0.004 1 33 6 6 ILE HB H 1.811 0.003 1 34 6 6 ILE HG12 H 1.135 0.004 2 35 6 6 ILE HG13 H 1.410 0.004 2 36 6 6 ILE HG2 H 0.838 0.006 . 37 6 6 ILE HD1 H 0.813 0.004 . 38 7 7 VAL H H 8.366 0.003 1 39 7 7 VAL HA H 4.015 0.003 1 40 7 7 VAL HB H 1.936 0.003 1 41 7 7 VAL HG1 H 0.835 0.003 . 42 7 7 VAL HG2 H 0.875 0.003 . 43 8 8 GLN H H 8.653 0.003 1 44 8 8 GLN HA H 4.545 0.003 1 45 8 8 GLN HB2 H 1.868 0.005 2 46 8 8 GLN HB3 H 2.018 0.006 2 47 8 8 GLN HG2 H 2.348 0.004 . 48 8 8 GLN HG3 H 2.348 0.004 . 49 8 8 GLN HE21 H 6.940 0.000 2 50 8 8 GLN HE22 H 7.612 0.003 2 51 9 9 PRO HA H 4.657 0.003 1 52 9 9 PRO HB2 H 1.861 0.005 2 53 9 9 PRO HB3 H 2.314 0.005 2 54 9 9 PRO HG2 H 1.989 0.005 . 55 9 9 PRO HG3 H 1.989 0.005 . 56 9 9 PRO HD2 H 3.611 0.006 2 57 9 9 PRO HD3 H 3.799 0.004 2 58 10 10 PRO HA H 4.354 0.003 1 59 10 10 PRO HB2 H 1.848 0.006 2 60 10 10 PRO HB3 H 2.240 0.005 2 61 10 10 PRO HG2 H 1.970 0.005 . 62 10 10 PRO HG3 H 1.970 0.005 . 63 10 10 PRO HD2 H 3.569 0.003 2 64 10 10 PRO HD3 H 3.755 0.005 2 65 11 11 ALA H H 8.466 0.004 1 66 11 11 ALA HA H 4.521 0.006 1 67 11 11 ALA HB H 1.289 0.002 . 68 12 12 PRO HA H 4.667 0.007 1 69 12 12 PRO HB2 H 1.843 0.008 2 70 12 12 PRO HB3 H 2.300 0.004 2 71 12 12 PRO HG2 H 1.987 0.004 . 72 12 12 PRO HG3 H 1.987 0.004 . 73 12 12 PRO HD2 H 3.569 0.004 2 74 12 12 PRO HD3 H 3.777 0.004 2 75 13 13 PRO HA H 4.657 0.005 1 76 13 13 PRO HB2 H 1.831 0.004 2 77 13 13 PRO HB3 H 2.288 0.007 2 78 13 13 PRO HG2 H 1.975 0.007 . 79 13 13 PRO HG3 H 1.975 0.007 . 80 13 13 PRO HD2 H 3.561 0.005 2 81 13 13 PRO HD3 H 3.793 0.005 2 82 14 14 PRO HA H 4.339 0.003 1 83 14 14 PRO HB2 H 1.849 0.004 2 84 14 14 PRO HB3 H 2.221 0.006 2 85 14 14 PRO HG2 H 1.969 0.005 . 86 14 14 PRO HG3 H 1.969 0.005 . 87 14 14 PRO HD2 H 3.593 0.005 2 88 14 14 PRO HD3 H 3.758 0.005 2 89 15 15 ASN H H 8.482 0.002 1 90 15 15 ASN HA H 4.538 0.003 1 91 15 15 ASN HB2 H 2.703 0.002 . 92 15 15 ASN HB3 H 2.703 0.002 . 93 15 15 ASN HD21 H 6.964 0.003 2 94 15 15 ASN HD22 H 7.668 0.001 2 95 16 16 ALA H H 8.281 0.002 1 96 16 16 ALA HA H 4.181 0.004 1 97 16 16 ALA HB H 1.223 0.003 . 98 17 17 PHE H H 8.266 0.003 1 99 17 17 PHE HA H 4.527 0.004 1 100 17 17 PHE HB2 H 3.004 0.006 2 101 17 17 PHE HB3 H 3.030 0.004 2 102 17 17 PHE HD1 H 7.179 0.003 . 103 17 17 PHE HD2 H 7.179 0.003 . 104 17 17 PHE HE1 H 7.287 0.004 . 105 17 17 PHE HE2 H 7.287 0.004 . 106 17 17 PHE HZ H 7.249 0.002 1 107 18 18 VAL H H 7.923 0.004 1 108 18 18 VAL HA H 3.950 0.004 1 109 18 18 VAL HB H 1.885 0.003 1 110 18 18 VAL HG1 H 0.819 0.003 . 111 18 18 VAL HG2 H 0.849 0.002 . 112 19 19 GLU H H 8.433 0.002 1 113 19 19 GLU HA H 4.280 0.003 1 114 19 19 GLU HB2 H 1.922 0.006 2 115 19 19 GLU HB3 H 2.022 0.008 2 116 19 19 GLU HG2 H 2.411 0.004 . 117 19 19 GLU HG3 H 2.411 0.004 . 118 20 20 ILE H H 8.324 0.002 1 119 20 20 ILE HA H 4.054 0.005 1 120 20 20 ILE HB H 1.792 0.005 1 121 20 20 ILE HG12 H 1.157 0.004 2 122 20 20 ILE HG13 H 1.440 0.005 2 123 20 20 ILE HG2 H 0.883 0.004 . 124 20 20 ILE HD1 H 0.826 0.007 . stop_ save_