data_2014 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the Propeptide of Prothrombin Containing the gamma-Carboxylation Recognition Site Determined by Two-Dimensional NMR Spectroscopy ; _BMRB_accession_number 2014 _BMRB_flat_file_name bmr2014.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _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 Sanford David G. . 2 Kanagy Carolyn . . 3 Sudmeier J. L. . 4 Furie Barbara C. . 5 Furie Bruce . . 6 Bachovchin William W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 77 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-16 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 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 ; Sanford, David G., Kanagy, Carolyn, Sudmeier, J.L., Furie, Barbara C., Furie, Bruce, Bachovchin, William W., "Structure of the Propeptide of Prothrombin Containing the gamma-Carboxylation Recognition Site Determined by Two-Dimensional NMR Spectroscopy," Biochemistry 30 (41), 9835-9841 (1991). ; _Citation_title ; Structure of the Propeptide of Prothrombin Containing the gamma-Carboxylation Recognition Site Determined by Two-Dimensional NMR Spectroscopy ; _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 Sanford David G. . 2 Kanagy Carolyn . . 3 Sudmeier J. L. . 4 Furie Barbara C. . 5 Furie Bruce . . 6 Bachovchin William W. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 30 _Journal_issue 41 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9835 _Page_last 9841 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_prothrombin _Saveframe_category molecular_system _Mol_system_name prothrombin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label prothrombin $prothrombin stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_prothrombin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common prothrombin _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 19 _Mol_residue_sequence HVFLAPQQARSLLQRVRRY loop_ _Residue_seq_code _Residue_label 1 HIS 2 VAL 3 PHE 4 LEU 5 ALA 6 PRO 7 GLN 8 GLN 9 ALA 10 ARG 11 SER 12 LEU 13 LEU 14 GLN 15 ARG 16 VAL 17 ARG 18 ARG 19 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 2013 prothrombin 100.00 19 100.00 100.00 8.75e-03 DBJ BAD96495 "coagulation factor II precursor variant [Homo sapiens]" 94.74 622 100.00 100.00 1.77e-02 DBJ BAD96497 "coagulation factor II precursor variant [Homo sapiens]" 94.74 622 100.00 100.00 1.49e-02 DBJ BAG35804 "unnamed protein product [Homo sapiens]" 94.74 622 100.00 100.00 1.58e-02 DBJ BAG64719 "unnamed protein product [Homo sapiens]" 94.74 605 100.00 100.00 1.45e-02 DBJ BAJ21184 "coagulation factor II [synthetic construct]" 94.74 622 100.00 100.00 1.58e-02 EMBL CAA23842 "unnamed protein product [Homo sapiens]" 94.74 615 100.00 100.00 1.35e-02 EMBL CAJ01369 "prothrombin [Homo sapiens]" 94.74 622 100.00 100.00 1.48e-02 GB AAA60220 "thrombin precursor, partial [Homo sapiens]" 94.74 100 100.00 100.00 2.38e-02 GB AAC63054 "prothrombin [Homo sapiens]" 94.74 622 100.00 100.00 1.58e-02 GB AAH51332 "Coagulation factor II (thrombin) [Homo sapiens]" 94.74 622 100.00 100.00 1.58e-02 GB AAL77436 "coagulation factor II (thrombin) [Homo sapiens]" 94.74 622 100.00 100.00 1.58e-02 GB ACE87074 "coagulation factor II (thrombin) protein [synthetic construct]" 94.74 622 100.00 100.00 1.58e-02 REF NP_000497 "prothrombin isoform 1 preproprotein [Homo sapiens]" 94.74 622 100.00 100.00 1.58e-02 REF NP_001298186 "prothrombin isoform 2 [Homo sapiens]" 89.47 606 100.00 100.00 1.73e-01 REF XP_001165233 "PREDICTED: prothrombin isoform X1 [Pan troglodytes]" 94.74 622 100.00 100.00 1.60e-02 REF XP_003815248 "PREDICTED: prothrombin [Pan paniscus]" 94.74 622 100.00 100.00 1.60e-02 REF XP_004051078 "PREDICTED: prothrombin isoform 1 [Gorilla gorilla gorilla]" 94.74 622 100.00 100.00 1.58e-02 SP P00734 "RecName: Full=Prothrombin; AltName: Full=Coagulation factor II; Contains: RecName: Full=Activation peptide fragment 1; Contains" 94.74 622 100.00 100.00 1.58e-02 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $prothrombin 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 $prothrombin '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 3 . na temperature 277 . 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 TSP 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 prothrombin _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 HIS HA H 4.28 . 1 2 . 1 HIS HB2 H 3.21 . 2 3 . 1 HIS HB3 H 3.31 . 2 4 . 2 VAL H H 8.63 . 1 5 . 2 VAL HA H 4.17 . 1 6 . 2 VAL HB H 1.99 . 1 7 . 2 VAL HG1 H .91 . 1 8 . 2 VAL HG2 H .91 . 1 9 . 3 PHE H H 8.84 . 1 10 . 3 PHE HA H 4.63 . 1 11 . 3 PHE HB2 H 3.06 . 1 12 . 3 PHE HB3 H 3.06 . 1 13 . 4 LEU H H 8.36 . 1 14 . 4 LEU HA H 4.37 . 1 15 . 5 ALA H H 8.58 . 1 16 . 5 ALA HA H 4.3 . 1 17 . 5 ALA HB H 1.41 . 1 18 . 6 PRO HA H 4.39 . 1 19 . 6 PRO HB2 H 1.91 . 1 20 . 6 PRO HB3 H 1.91 . 1 21 . 6 PRO HG2 H 2.07 . 2 22 . 6 PRO HG3 H 2.39 . 2 23 . 6 PRO HD2 H 3.71 . 2 24 . 6 PRO HD3 H 3.85 . 2 25 . 7 GLN H H 8.53 . 1 26 . 7 GLN HA H 4.27 . 1 27 . 7 GLN HB2 H 2.07 . 1 28 . 7 GLN HB3 H 2.07 . 1 29 . 7 GLN HG2 H 2.4 . 1 30 . 7 GLN HG3 H 2.4 . 1 31 . 8 GLN H H 8.74 . 1 32 . 8 GLN HA H 4.26 . 1 33 . 8 GLN HB2 H 2.04 . 1 34 . 8 GLN HB3 H 2.04 . 1 35 . 8 GLN HG2 H 2.4 . 1 36 . 8 GLN HG3 H 2.4 . 1 37 . 9 ALA H H 8.48 . 1 38 . 9 ALA HA H 4.46 . 1 39 . 9 ALA HB H 2.06 . 1 40 . 11 SER H H 8.43 . 1 41 . 11 SER HA H 4.42 . 1 42 . 11 SER HB2 H 3.93 . 2 43 . 11 SER HB3 H 3.88 . 2 44 . 12 LEU H H 8.16 . 1 45 . 12 LEU HA H 4.31 . 1 46 . 13 LEU H H 8.31 . 1 47 . 13 LEU HA H 4.32 . 1 48 . 13 LEU HB2 H 1.69 . 2 49 . 13 LEU HB3 H 1.85 . 2 50 . 13 LEU HG H 1.65 . 1 51 . 13 LEU HD1 H .84 . 2 52 . 13 LEU HD2 H .9 . 2 53 . 14 GLN H H 8.4 . 1 54 . 14 GLN HA H 4.3 . 1 55 . 15 ARG H H 8.55 . 1 56 . 15 ARG HA H 4.28 . 1 57 . 15 ARG HB2 H 1.71 . 1 58 . 15 ARG HB3 H 1.71 . 1 59 . 15 ARG HG2 H 1.48 . 1 60 . 15 ARG HG3 H 1.48 . 1 61 . 15 ARG HD2 H 3.12 . 1 62 . 15 ARG HD3 H 3.12 . 1 63 . 15 ARG HH11 H 7.13 . 1 64 . 15 ARG HH12 H 7.13 . 1 65 . 15 ARG HH21 H 7.13 . 1 66 . 15 ARG HH22 H 7.13 . 1 67 . 16 VAL H H 8.31 . 1 68 . 16 VAL HA H 4.08 . 1 69 . 16 VAL HB H 2.06 . 1 70 . 16 VAL HG1 H .89 . 2 71 . 16 VAL HG2 H .97 . 2 72 . 18 ARG H H 8.51 . 1 73 . 18 ARG HA H 4.28 . 1 74 . 19 TYR H H 8.23 . 1 75 . 19 TYR HA H 4.51 . 1 76 . 19 TYR HB2 H 2.89 . 2 77 . 19 TYR HB3 H 3.12 . 2 stop_ save_