data_16699 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Chemical Shift Assignments for gH617-644 fusion peptide from HSV-1 gH protein ; _BMRB_accession_number 16699 _BMRB_flat_file_name bmr16699.str _Entry_type new _Submission_date 2010-02-01 _Accession_date 2010-02-01 _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 Russo Luigi . . 2 Isernia Carla . . 3 Galdiero Stefania . . 4 Falanga Annarita . . 5 Vitiello Mariateresa . . 6 Raiola Luca . . 7 Pedone Carlo . . 8 Galdiero Massimiliano . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-25 update BMRB 'complete entry citation' 2010-05-05 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'The Presence of a Single N-terminal Histidine Residue Enhances the Fusogenic Properties of a Membranotropic Peptide Derived from Herpes Simplex Virus Type 1 Glycoprotein H.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20348105 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Galdiero Stefania . . 2 Falanga Annarita . . 3 Vitiello Mariateresa . . 4 Raiola Luca . . 5 Russo Luigi . . 6 Pedone Carlo . . 7 Isernia Carla . . 8 Galdiero Massimiliano . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 17123 _Page_last 17136 _Year 2010 _Details . loop_ _Keyword 'HSV-1 glycoprotein H' 'Fusion peptide' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HSV-1 gH protein, gH617-644 fusion peptide' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HSV-1 gH protein, gH617-644 fusion peptide' $HSV-1_gH_protein,_gH617-644_fusion_peptide stop_ _System_molecular_weight 3167.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'HSV-1 gH protein, gH617-644 fusion peptide' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_HSV-1_gH_protein,_gH617-644_fusion_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HSV-1_gH_protein,_gH617-644_fusion_peptide _Molecular_mass 3167.6 _Mol_thiol_state 'not present' loop_ _Biological_function 'membrane fusion peptide' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; VEVLAQQTHGLASTLTRWAH YNALIRAF ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 617 VAL 2 618 GLU 3 619 VAL 4 620 LEU 5 621 ALA 6 622 GLN 7 623 GLN 8 624 THR 9 625 HIS 10 626 GLY 11 627 LEU 12 628 ALA 13 629 SER 14 630 THR 15 631 LEU 16 632 THR 17 633 ARG 18 634 TRP 19 635 ALA 20 636 HIS 21 637 TYR 22 638 ASN 23 639 ALA 24 640 LEU 25 641 ILE 26 642 ARG 27 643 ALA 28 644 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 15647 HSV-1_gH_protein,_gH626-644_fusion_peptide 67.86 19 100.00 100.00 1.93e-03 BMRB 18335 entity_1 71.43 20 100.00 100.00 2.33e-04 PDB 2LQY "Structure And Orientation Of The Gh625-644 Membrane Interacting Region Of Herpes Simplex Virus Type 1 In A Membrane Mimetic Sys" 71.43 20 100.00 100.00 2.33e-04 DBJ BAM73371 "envelope glycoprotein H [Herpes simplex virus (type 1 /strain RH2)]" 100.00 838 100.00 100.00 8.02e-09 EMBL CAA27534 "unnamed protein product [Human herpesvirus 1]" 100.00 838 100.00 100.00 8.50e-09 EMBL CAA32335 "virion glycoprotein H [Human herpesvirus 1]" 100.00 838 100.00 100.00 8.50e-09 GB AAA45815 "glycoprotein H precursor [Human herpesvirus 1]" 100.00 838 100.00 100.00 8.25e-09 GB AAG17895 "glycoprotein H [human herpesvirus 1]" 100.00 838 100.00 100.00 8.25e-09 GB ABI63484 "UL22 [Human herpesvirus 1]" 100.00 838 100.00 100.00 8.25e-09 GB ACM62244 "envelope glycoprotein H [Human herpesvirus 1]" 100.00 838 100.00 100.00 8.50e-09 GB ADD59995 "envelope glycoprotein H [Human herpesvirus 1]" 100.00 838 100.00 100.00 8.02e-09 REF YP_009137096 "envelope glycoprotein H [Human herpesvirus 1]" 100.00 838 100.00 100.00 8.50e-09 SP P06477 "RecName: Full=Envelope glycoprotein H; Short=gH; Flags: Precursor" 100.00 838 100.00 100.00 8.50e-09 SP P08356 "RecName: Full=Envelope glycoprotein H; Short=gH; Flags: Precursor" 100.00 838 100.00 100.00 8.25e-09 SP Q9DHD5 "RecName: Full=Envelope glycoprotein H; Short=gH; Flags: Precursor [Herpes simplex virus (type 1 / strain F)]" 100.00 838 100.00 100.00 8.25e-09 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HSV-1_gH_protein,_gH617-644_fusion_peptide 'Human herpesvirus 1' 10298 Viruses . Simplexvirus 'Human herpesvirus 1' 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 $HSV-1_gH_protein,_gH617-644_fusion_peptide 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_gH617-644 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $HSV-1_gH_protein,_gH617-644_fusion_peptide 1 mM 'natural abundance' TFE 80 '% v/v' '[U-99% 2H]' H2O 20 '% v/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _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_gH617-644 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_gH617-644 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_gH617-644 save_ ####################### # Sample conditions # ####################### save_sample_condition_gH617-644 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 300 . K pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_gH617-644 _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 TFE H 1 'methylene protons' ppm 3.88 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_gH617-644 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $XEASY stop_ loop_ _Experiment_label '2D 1H-1H TOCSY' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_gH617-644 stop_ _Sample_conditions_label $sample_condition_gH617-644 _Chem_shift_reference_set_label $chemical_shift_gH617-644 _Mol_system_component_name 'HSV-1 gH protein, gH617-644 fusion peptide' _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 1 617 1 VAL HA H 3.82 0.01 1 2 617 1 VAL HB H 2.25 0.01 1 3 617 1 VAL HG1 H 1.08 0.01 1 4 617 1 VAL HG2 H 1.08 0.01 1 5 618 2 GLU H H 8.45 0.01 1 6 618 2 GLU HA H 4.60 0.01 1 7 618 2 GLU HB2 H 2.24 0.01 2 8 618 2 GLU HB3 H 2.10 0.01 2 9 618 2 GLU HG2 H 2.52 0.01 1 10 618 2 GLU HG3 H 2.52 0.01 1 11 619 3 VAL H H 7.98 0.01 1 12 619 3 VAL HA H 4.09 0.01 1 13 619 3 VAL HB H 2.18 0.01 1 14 619 3 VAL HG1 H 1.04 0.01 2 15 619 3 VAL HG2 H 1.03 0.01 2 16 620 4 LEU H H 7.83 0.01 1 17 620 4 LEU HA H 4.36 0.01 1 18 620 4 LEU HB2 H 1.73 0.01 1 19 620 4 LEU HB3 H 1.73 0.01 1 20 620 4 LEU HD1 H 0.99 0.01 1 21 620 4 LEU HD2 H 0.99 0.01 1 22 620 4 LEU HG H 1.73 0.01 1 23 621 5 ALA H H 7.89 0.01 1 24 621 5 ALA HA H 4.17 0.01 1 25 621 5 ALA HB H 1.52 0.01 1 26 622 6 GLN H H 8.31 0.01 1 27 622 6 GLN HA H 4.14 0.01 1 28 622 6 GLN HB2 H 2.24 0.01 1 29 622 6 GLN HB3 H 2.24 0.01 1 30 622 6 GLN HE21 H 6.99 0.01 2 31 622 6 GLN HE22 H 6.33 0.01 2 32 622 6 GLN HG2 H 2.47 0.01 1 33 622 6 GLN HG3 H 2.47 0.01 1 34 623 7 GLN H H 8.54 0.01 1 35 623 7 GLN HA H 4.23 0.01 1 36 623 7 GLN HB2 H 2.29 0.01 1 37 623 7 GLN HB3 H 2.29 0.01 1 38 623 7 GLN HE21 H 7.05 0.01 2 39 623 7 GLN HE22 H 6.39 0.01 2 40 623 7 GLN HG2 H 2.50 0.01 1 41 623 7 GLN HG3 H 2.50 0.01 1 42 624 8 THR H H 8.19 0.01 1 43 624 8 THR HA H 4.13 0.01 1 44 624 8 THR HB H 4.34 0.01 1 45 624 8 THR HG2 H 1.35 0.01 1 46 625 9 HIS H H 8.19 0.01 1 47 625 9 HIS HA H 4.47 0.01 1 48 625 9 HIS HB2 H 3.42 0.01 1 49 625 9 HIS HB3 H 3.42 0.01 1 50 625 9 HIS HD2 H 7.32 0.01 1 51 625 9 HIS HE1 H 8.46 0.01 1 52 626 10 GLY H H 8.51 0.01 1 53 626 10 GLY HA2 H 4.01 0.01 2 54 626 10 GLY HA3 H 3.91 0.01 2 55 627 11 LEU H H 8.31 0.01 1 56 627 11 LEU HA H 4.22 0.01 1 57 627 11 LEU HB2 H 1.88 0.01 1 58 627 11 LEU HB3 H 1.88 0.01 1 59 627 11 LEU HD1 H 0.97 0.01 1 60 627 11 LEU HD2 H 0.97 0.01 1 61 627 11 LEU HG H 1.79 0.01 1 62 628 12 ALA H H 8.48 0.01 1 63 628 12 ALA HA H 4.14 0.01 1 64 628 12 ALA HB H 1.54 0.01 1 65 629 13 SER H H 8.36 0.01 1 66 629 13 SER HA H 4.20 0.01 1 67 629 13 SER HB2 H 4.07 0.01 2 68 629 13 SER HB3 H 3.98 0.01 2 69 630 14 THR H H 7.98 0.01 1 70 630 14 THR HA H 4.01 0.01 1 71 630 14 THR HB H 4.46 0.01 1 72 630 14 THR HG2 H 1.23 0.01 1 73 631 15 LEU H H 8.70 0.01 1 74 631 15 LEU HA H 4.30 0.01 1 75 631 15 LEU HB2 H 1.95 0.01 1 76 631 15 LEU HB3 H 1.95 0.01 1 77 631 15 LEU HD1 H 0.91 0.01 1 78 631 15 LEU HD2 H 0.91 0.01 1 79 631 15 LEU HG H 1.71 0.01 1 80 632 16 THR H H 8.14 0.01 1 81 632 16 THR HA H 4.11 0.01 1 82 632 16 THR HB H 4.38 0.01 1 83 632 16 THR HG2 H 1.35 0.01 1 84 633 17 ARG H H 8.04 0.01 1 85 633 17 ARG HA H 4.12 0.01 1 86 633 17 ARG HB2 H 2.14 0.01 2 87 633 17 ARG HB3 H 2.08 0.01 2 88 633 17 ARG HD2 H 3.25 0.01 1 89 633 17 ARG HD3 H 3.25 0.01 1 90 633 17 ARG HE H 6.98 0.01 1 91 633 17 ARG HG2 H 1.92 0.01 2 92 633 17 ARG HG3 H 1.67 0.01 2 93 634 18 TRP H H 8.64 0.01 1 94 634 18 TRP HA H 4.57 0.01 1 95 634 18 TRP HB2 H 3.61 0.01 2 96 634 18 TRP HB3 H 3.48 0.01 2 97 634 18 TRP HD1 H 7.20 0.01 1 98 634 18 TRP HE1 H 9.53 0.01 1 99 634 18 TRP HE3 H 7.67 0.01 1 100 634 18 TRP HH2 H 7.24 0.01 1 101 634 18 TRP HZ2 H 7.47 0.01 1 102 634 18 TRP HZ3 H 7.09 0.01 1 103 635 19 ALA H H 9.00 0.01 1 104 635 19 ALA HA H 3.97 0.01 1 105 635 19 ALA HB H 1.62 0.01 1 106 636 20 HIS H H 8.12 0.01 1 107 636 20 HIS HA H 4.37 0.01 1 108 636 20 HIS HB2 H 3.37 0.01 1 109 636 20 HIS HB3 H 3.37 0.01 1 110 636 20 HIS HD2 H 7.26 0.01 1 111 636 20 HIS HE1 H 8.44 0.01 1 112 637 21 TYR H H 8.63 0.01 1 113 637 21 TYR HA H 4.30 0.01 1 114 637 21 TYR HB2 H 3.19 0.01 2 115 637 21 TYR HB3 H 3.12 0.01 2 116 637 21 TYR HD1 H 7.02 0.01 1 117 637 21 TYR HD2 H 7.02 0.01 1 118 637 21 TYR HE1 H 6.75 0.01 1 119 637 21 TYR HE2 H 6.75 0.01 1 120 638 22 ASN H H 8.05 0.01 1 121 638 22 ASN HA H 4.10 0.01 1 122 638 22 ASN HB2 H 2.43 0.01 2 123 638 22 ASN HB3 H 2.33 0.01 2 124 638 22 ASN HD21 H 4.99 0.01 2 125 638 22 ASN HD22 H 6.58 0.01 2 126 639 23 ALA H H 7.67 0.01 1 127 639 23 ALA HA H 4.09 0.01 1 128 639 23 ALA HB H 1.48 0.01 1 129 640 24 LEU H H 7.80 0.01 1 130 640 24 LEU HA H 4.13 0.01 1 131 640 24 LEU HB2 H 1.80 0.01 1 132 640 24 LEU HB3 H 1.80 0.01 1 133 640 24 LEU HD1 H 0.92 0.01 1 134 640 24 LEU HD2 H 0.92 0.01 1 135 640 24 LEU HG H 1.70 0.01 1 136 641 25 ILE H H 7.73 0.01 1 137 641 25 ILE HA H 3.97 0.01 1 138 641 25 ILE HB H 1.86 0.01 1 139 641 25 ILE HD1 H 0.75 0.01 1 140 641 25 ILE HG12 H 1.18 0.01 2 141 641 25 ILE HG13 H 1.34 0.01 2 142 641 25 ILE HG2 H 0.80 0.01 1 143 642 26 ARG H H 7.41 0.01 1 144 642 26 ARG HA H 4.25 0.01 1 145 642 26 ARG HB2 H 1.93 0.01 1 146 642 26 ARG HB3 H 1.93 0.01 1 147 642 26 ARG HD2 H 3.16 0.01 1 148 642 26 ARG HD3 H 3.16 0.01 1 149 642 26 ARG HE H 7.06 0.01 1 150 642 26 ARG HG2 H 1.77 0.01 2 151 642 26 ARG HG3 H 1.64 0.01 2 152 643 27 ALA H H 7.71 0.01 1 153 643 27 ALA HA H 4.25 0.01 1 154 643 27 ALA HB H 1.36 0.01 1 155 644 28 PHE H H 7.59 0.01 1 156 644 28 PHE HA H 4.71 0.01 1 157 644 28 PHE HB2 H 3.24 0.01 2 158 644 28 PHE HB3 H 3.10 0.01 2 159 644 28 PHE HD1 H 7.29 0.01 1 160 644 28 PHE HD2 H 7.29 0.01 1 161 644 28 PHE HE1 H 7.20 0.01 1 162 644 28 PHE HE2 H 7.20 0.01 1 163 644 28 PHE HZ H 7.20 0.01 1 stop_ save_