data_321 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR study of a 34-residue N-terminal fragment of the parathyroid-hormone-related protein secreted during humoral hypercalcemia of malignancy ; _BMRB_accession_number 321 _BMRB_flat_file_name bmr321.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-12 _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 Barden Julian A. . 2 Kemp Bruce E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 206 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 update BMRB 'Complete natural source information' 2008-07-16 update BMRB 'Updating non-standard residue' 2006-09-09 update BMRB 'Updated non-standard residue nomenclature' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-12 revision BMRB 'Error corrected in abrreviations given to non-polymers' 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 ; Barden, Julian A., Kemp, Bruce E., "NMR study of a 34-residue N-terminal fragment of the parathyroid-hormone-related protein secreted during humoral hypercalcemia of malignancy," Eur. J. Biochem. 184, 379-394 (1989). ; _Citation_title ; NMR study of a 34-residue N-terminal fragment of the parathyroid-hormone-related protein secreted during humoral hypercalcemia of malignancy ; _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 Barden Julian A. . 2 Kemp Bruce E. . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 184 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 379 _Page_last 394 _Year 1989 _Details . save_ ################################## # Molecular system description # ################################## save_system_parathyroid-hormone-related_protein _Saveframe_category molecular_system _Mol_system_name 'parathyroid-hormone-related protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'parathyroid-hormone-related protein' $parathyroid-hormone-related_protein 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_parathyroid-hormone-related_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'parathyroid-hormone-related protein' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 35 _Mol_residue_sequence ; AVSEHQLLHDKGKSIQDLRR RFFLHHLIAEIHTAX ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 VAL 3 SER 4 GLU 5 HIS 6 GLN 7 LEU 8 LEU 9 HIS 10 ASP 11 LYS 12 GLY 13 LYS 14 SER 15 ILE 16 GLN 17 ASP 18 LEU 19 ARG 20 ARG 21 ARG 22 PHE 23 PHE 24 LEU 25 HIS 26 HIS 27 LEU 28 ILE 29 ALA 30 GLU 31 ILE 32 HIS 33 THR 34 ALA 35 NH2 stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-29 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 1BZG "The Solution Structure Of Human Parathyroid Hormone-Related Protein (1-34) In Near-Physiological Solution, Nmr, 30 Structures" 97.06 34 100.00 100.00 2.98e-13 PDB 3FFD "Structure Of Parathyroid Hormone-related Protein Complexed To A Neutralizing Monoclonal Antibody" 97.06 108 100.00 100.00 4.20e-14 PDB 3H3G "Crystal Structure Of The Extracellular Domain Of The Human Parathyroid Hormone Receptor (Pth1r) In Complex With Parathyroid Hor" 64.71 24 100.00 100.00 1.83e-05 DBJ BAC44840 "parathyroid hormone-related protein [Bos taurus]" 97.06 177 100.00 100.00 1.69e-13 DBJ BAG36261 "unnamed protein product [Homo sapiens]" 97.06 175 100.00 100.00 1.80e-13 DBJ BAJ20673 "parathyroid hormone-like hormone [synthetic construct]" 97.06 177 100.00 100.00 2.07e-13 EMBL CAC39218 "parathyroid hormone-related protein [Mus musculus]" 97.06 175 100.00 100.00 1.30e-13 EMBL CAG46680 "PTHLH [Homo sapiens]" 97.06 177 100.00 100.00 2.07e-13 EMBL CAH39861 "parathyroid hormone related protein [Halichoerus grypus]" 97.06 177 100.00 100.00 1.87e-13 EMBL CAH39862 "parathyroid hormone related protein [Phoca vitulina]" 97.06 177 100.00 100.00 1.87e-13 EMBL CAJ43199 "parathyroid hormone related protein [Phocoena phocoena]" 97.06 84 100.00 100.00 1.09e-13 GB AAA41889 "parathyroid hormone-like protein [Rattus norvegicus]" 97.06 177 100.00 100.00 1.20e-13 GB AAA41980 "parathyroid-like peptide precursor [Rattus norvegicus]" 97.06 177 100.00 100.00 1.20e-13 GB AAA41981 "parathyroid hormone-like protein precursor [Rattus norvegicus]" 97.06 177 100.00 100.00 1.20e-13 GB AAA60216 "parathyroid-like protein precursor [Homo sapiens]" 97.06 159 100.00 100.00 3.36e-13 GB AAA60218 "PTH-like peptide [Homo sapiens]" 97.06 175 100.00 100.00 1.80e-13 REF NP_001003303 "parathyroid hormone-related protein precursor [Canis lupus familiaris]" 97.06 177 100.00 100.00 2.16e-13 REF NP_001076122 "parathyroid hormone-related protein precursor [Oryctolagus cuniculus]" 97.06 177 100.00 100.00 1.85e-13 REF NP_001076188 "parathyroid hormone-related protein precursor [Oryctolagus cuniculus]" 97.06 202 100.00 100.00 1.74e-13 REF NP_001157453 "parathyroid hormone-related protein precursor [Equus caballus]" 97.06 177 100.00 100.00 2.32e-13 REF NP_001248609 "parathyroid hormone-related protein precursor [Macaca mulatta]" 97.06 177 100.00 100.00 2.07e-13 SP P12272 "RecName: Full=Parathyroid hormone-related protein; Short=PTH-rP; Short=PTHrP; AltName: Full=Parathyroid hormone-like protein; S" 97.06 177 100.00 100.00 2.07e-13 SP P13085 "RecName: Full=Parathyroid hormone-related protein; Short=PTH-rP; Short=PTHrP; AltName: Full=Parathyroid hormone-like protein; S" 97.06 177 100.00 100.00 1.20e-13 SP P22858 "RecName: Full=Parathyroid hormone-related protein; Short=PTH-rP; Short=PTHrP; AltName: Full=Parathyroid hormone-like protein; S" 97.06 175 100.00 100.00 1.34e-13 SP P52211 "RecName: Full=Parathyroid hormone-related protein; Short=PTH-rP; Short=PTHrP; Contains: RecName: Full=Osteostatin; Flags: Precu" 97.06 177 100.00 100.00 2.16e-13 SP P58073 "RecName: Full=Parathyroid hormone-related protein; Short=PTH-rP; Short=PTHrP; Contains: RecName: Full=Osteostatin; Flags: Precu" 97.06 177 100.00 100.00 1.59e-13 TPG DAA29452 "TPA: parathyroid hormone-related protein precursor [Bos taurus]" 97.06 177 100.00 100.00 1.59e-13 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_NH2 _Saveframe_category polymer_residue _Mol_type NON-POLYMER _Name_common 'AMINO GROUP' _BMRB_code NH2 _PDB_code NH2 _Standard_residue_derivative . _Molecular_mass 16.023 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? HN1 HN1 H . 0 . ? HN2 HN2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N HN1 ? ? SING N HN2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Tissue $parathyroid-hormone-related_protein human 9606 Eukaryota Metazoa Homo sapiens generic 'lung cancer cell line (BEN)' 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 $parathyroid-hormone-related_protein '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 4.5 . pH temperature 298 . 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 DSS 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 'parathyroid-hormone-related protein' _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 ALA HA H 4.138 . 1 2 . 1 ALA HB H 1.517 . 1 3 . 2 VAL H H 8.519 . 1 4 . 2 VAL HA H 4.174 . 1 5 . 2 VAL HB H 2.07 . 1 6 . 2 VAL HG1 H .931 . 2 7 . 2 VAL HG2 H .946 . 2 8 . 3 SER H H 8.456 . 1 9 . 3 SER HA H 4.473 . 1 10 . 3 SER HB2 H 3.895 . 2 11 . 3 SER HB3 H 3.94 . 2 12 . 4 GLU H H 8.22 . 1 13 . 4 GLU HA H 4.22 . 1 14 . 4 GLU HB2 H 1.913 . 2 15 . 4 GLU HB3 H 2 . 2 16 . 4 GLU HG2 H 2.275 . 2 17 . 4 GLU HG3 H 2.24 . 2 18 . 5 HIS H H 8.436 . 1 19 . 5 HIS HA H 4.66 . 1 20 . 5 HIS HB2 H 3.16 . 2 21 . 5 HIS HB3 H 3.267 . 2 22 . 5 HIS HD2 H 7.286 . 1 23 . 5 HIS HE1 H 8.606 . 1 24 . 6 GLN H H 8.36 . 1 25 . 6 GLN HA H 4.262 . 1 26 . 6 GLN HB2 H 1.973 . 2 27 . 6 GLN HB3 H 2.05 . 2 28 . 6 GLN HG2 H 2.342 . 1 29 . 6 GLN HG3 H 2.342 . 1 30 . 7 LEU H H 8.154 . 1 31 . 7 LEU HA H 4.282 . 1 32 . 7 LEU HB2 H 1.472 . 1 33 . 7 LEU HB3 H 1.472 . 1 34 . 7 LEU HG H 1.538 . 1 35 . 7 LEU HD1 H .884 . 2 36 . 7 LEU HD2 H .83 . 2 37 . 8 LEU H H 8.038 . 1 38 . 8 LEU HA H 4.159 . 1 39 . 8 LEU HB2 H 1.56 . 1 40 . 8 LEU HB3 H 1.56 . 1 41 . 8 LEU HG H 1.613 . 1 42 . 8 LEU HD1 H .914 . 2 43 . 8 LEU HD2 H .852 . 2 44 . 9 HIS H H 8.247 . 1 45 . 9 HIS HA H 4.575 . 1 46 . 9 HIS HB2 H 3.118 . 2 47 . 9 HIS HB3 H 3.229 . 2 48 . 9 HIS HD2 H 7.286 . 1 49 . 9 HIS HE1 H 8.591 . 1 50 . 10 ASP H H 8.24 . 1 51 . 10 ASP HA H 4.554 . 1 52 . 10 ASP HB2 H 2.721 . 2 53 . 10 ASP HB3 H 2.658 . 2 54 . 11 LYS H H 7.965 . 1 55 . 11 LYS HA H 4.192 . 1 56 . 11 LYS HB2 H 1.743 . 2 57 . 11 LYS HB3 H 1.873 . 2 58 . 11 LYS HG2 H 1.44 . 1 59 . 11 LYS HG3 H 1.44 . 1 60 . 11 LYS HD2 H 1.671 . 1 61 . 11 LYS HD3 H 1.671 . 1 62 . 11 LYS HE2 H 2.975 . 1 63 . 11 LYS HE3 H 2.975 . 1 64 . 12 GLY H H 8.472 . 1 65 . 12 GLY HA2 H 3.936 . 1 66 . 12 GLY HA3 H 3.936 . 1 67 . 13 LYS H H 8.105 . 1 68 . 13 LYS HA H 4.36 . 1 69 . 13 LYS HB2 H 1.752 . 2 70 . 13 LYS HB3 H 1.882 . 2 71 . 13 LYS HG2 H 1.44 . 1 72 . 13 LYS HG3 H 1.44 . 1 73 . 13 LYS HD2 H 1.671 . 1 74 . 13 LYS HD3 H 1.671 . 1 75 . 13 LYS HE2 H 2.99 . 1 76 . 13 LYS HE3 H 2.99 . 1 77 . 14 SER H H 8.416 . 1 78 . 14 SER HA H 4.451 . 1 79 . 14 SER HB2 H 3.83 . 2 80 . 14 SER HB3 H 3.878 . 2 81 . 15 ILE H H 8.221 . 1 82 . 15 ILE HA H 4.104 . 1 83 . 15 ILE HB H 1.884 . 1 84 . 15 ILE HG12 H 1.231 . 2 85 . 15 ILE HG13 H 1.471 . 2 86 . 15 ILE HG2 H .911 . 1 87 . 15 ILE HD1 H .858 . 1 88 . 16 GLN H H 8.5 . 1 89 . 16 GLN HA H 4.25 . 1 90 . 16 GLN HB2 H 1.973 . 2 91 . 16 GLN HB3 H 2.05 . 2 92 . 16 GLN HG2 H 2.355 . 1 93 . 16 GLN HG3 H 2.355 . 1 94 . 17 ASP H H 8.352 . 1 95 . 17 ASP HA H 4.595 . 1 96 . 17 ASP HB2 H 2.617 . 2 97 . 17 ASP HB3 H 2.7 . 2 98 . 18 LEU H H 8.408 . 1 99 . 18 LEU HA H 4.29 . 1 100 . 18 LEU HB2 H 1.626 . 1 101 . 18 LEU HB3 H 1.626 . 1 102 . 18 LEU HG H 1.68 . 1 103 . 18 LEU HD1 H .917 . 2 104 . 18 LEU HD2 H .859 . 2 105 . 19 ARG H H 8.173 . 1 106 . 19 ARG HA H 4.208 . 1 107 . 19 ARG HB2 H 1.78 . 2 108 . 19 ARG HB3 H 1.886 . 2 109 . 19 ARG HG2 H 1.679 . 1 110 . 19 ARG HG3 H 1.679 . 1 111 . 19 ARG HD2 H 3.191 . 1 112 . 19 ARG HD3 H 3.191 . 1 113 . 20 ARG H H 8.094 . 1 114 . 20 ARG HA H 4.207 . 1 115 . 20 ARG HB2 H 1.631 . 2 116 . 20 ARG HB3 H 1.739 . 2 117 . 20 ARG HG2 H 1.475 . 1 118 . 20 ARG HG3 H 1.475 . 1 119 . 20 ARG HD2 H 3.111 . 1 120 . 20 ARG HD3 H 3.111 . 1 121 . 21 ARG H H 8.154 . 1 122 . 21 ARG HA H 4.196 . 1 123 . 21 ARG HB2 H 1.75 . 2 124 . 21 ARG HB3 H 1.84 . 2 125 . 21 ARG HG2 H 1.6 . 1 126 . 21 ARG HG3 H 1.6 . 1 127 . 21 ARG HD2 H 3.18 . 1 128 . 21 ARG HD3 H 3.18 . 1 129 . 22 PHE H H 8.072 . 1 130 . 22 PHE HA H 4.522 . 1 131 . 22 PHE HB2 H 2.983 . 2 132 . 22 PHE HB3 H 3.122 . 2 133 . 22 PHE HD1 H 7.108 . 1 134 . 22 PHE HD2 H 7.108 . 1 135 . 22 PHE HE1 H 7.268 . 1 136 . 22 PHE HE2 H 7.268 . 1 137 . 23 PHE H H 8.058 . 1 138 . 23 PHE HA H 4.522 . 1 139 . 23 PHE HB2 H 3.022 . 2 140 . 23 PHE HB3 H 3.155 . 2 141 . 23 PHE HD1 H 7.217 . 1 142 . 23 PHE HD2 H 7.217 . 1 143 . 23 PHE HE1 H 7.321 . 1 144 . 23 PHE HE2 H 7.321 . 1 145 . 24 LEU H H 8.299 . 1 146 . 24 LEU HA H 4.318 . 1 147 . 24 LEU HB2 H 1.55 . 1 148 . 24 LEU HB3 H 1.55 . 1 149 . 24 LEU HG H 1.538 . 1 150 . 24 LEU HD1 H .83 . 2 151 . 24 LEU HD2 H .884 . 2 152 . 25 HIS H H 8.519 . 1 153 . 25 HIS HA H 4.64 . 1 154 . 25 HIS HB2 H 3.071 . 2 155 . 25 HIS HB3 H 3.2 . 2 156 . 25 HIS HD2 H 7.244 . 1 157 . 25 HIS HE1 H 8.56 . 1 158 . 26 HIS H H 8.299 . 1 159 . 26 HIS HA H 4.63 . 1 160 . 26 HIS HB2 H 3.105 . 2 161 . 26 HIS HB3 H 3.225 . 2 162 . 26 HIS HD2 H 7.213 . 1 163 . 26 HIS HE1 H 8.544 . 1 164 . 27 LEU H H 8.135 . 1 165 . 27 LEU HA H 4.15 . 1 166 . 27 LEU HB2 H 1.405 . 1 167 . 27 LEU HB3 H 1.405 . 1 168 . 27 LEU HG H 1.48 . 1 169 . 27 LEU HD1 H .824 . 2 170 . 27 LEU HD2 H .894 . 2 171 . 28 ILE H H 8.14 . 1 172 . 28 ILE HA H 4.112 . 1 173 . 28 ILE HB H 1.817 . 1 174 . 28 ILE HG12 H 1.436 . 2 175 . 28 ILE HG13 H 1.146 . 2 176 . 28 ILE HG2 H .885 . 1 177 . 28 ILE HD1 H .833 . 1 178 . 29 ALA H H 8.315 . 1 179 . 29 ALA HA H 4.296 . 1 180 . 29 ALA HB H 1.394 . 1 181 . 30 GLU H H 8.318 . 1 182 . 30 GLU HA H 4.232 . 1 183 . 30 GLU HB2 H 1.909 . 2 184 . 30 GLU HB3 H 1.998 . 2 185 . 30 GLU HG2 H 2.24 . 2 186 . 30 GLU HG3 H 2.275 . 2 187 . 31 ILE H H 8.126 . 1 188 . 31 ILE HA H 4.115 . 1 189 . 31 ILE HB H 1.784 . 1 190 . 31 ILE HG12 H 1.382 . 2 191 . 31 ILE HG13 H 1.135 . 2 192 . 31 ILE HG2 H .831 . 1 193 . 31 ILE HD1 H .824 . 1 194 . 32 HIS H H 8.63 . 1 195 . 32 HIS HA H 4.825 . 1 196 . 32 HIS HB2 H 3.163 . 2 197 . 32 HIS HB3 H 3.287 . 2 198 . 32 HIS HD2 H 7.272 . 1 199 . 32 HIS HE1 H 8.602 . 1 200 . 33 THR H H 8.212 . 1 201 . 33 THR HA H 4.307 . 1 202 . 33 THR HB H 4.185 . 1 203 . 33 THR HG2 H 1.182 . 1 204 . 34 ALA H H 8.23 . 1 205 . 34 ALA HA H 4.291 . 1 206 . 34 ALA HB H 1.337 . 1 stop_ save_