data_508 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the 13C-NMR Spectra of Virgin and Reactive-Site Modified Turkey Ovomucoid Third Domain ; _BMRB_accession_number 508 _BMRB_flat_file_name bmr508.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _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 Robertson Andrew D. . 2 Rhyu Gyung Ihm . 3 Westler William M. . 4 Markley John L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "13C chemical shifts" 37 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 revision BMRB 'Conmplete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 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 ; Robertson, Andrew D., Rhyu, Gyung Ihm, Westler, William M., Markley, John L., "Assignment of the 13C-NMR Spectra of Virgin and Reactive-Site Modified Turkey Ovomucoid Third Domain," Biopolymers 29, 461-467 (1990). ; _Citation_title ; Assignment of the 13C-NMR Spectra of Virgin and Reactive-Site Modified Turkey Ovomucoid Third Domain ; _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 Robertson Andrew D. . 2 Rhyu Gyung Ihm . 3 Westler William M. . 4 Markley John L. . stop_ _Journal_abbreviation Biopolymers _Journal_volume 29 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 461 _Page_last 467 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_ovomucoid_third_domain _Saveframe_category molecular_system _Mol_system_name 'ovomucoid third domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ovomucoid third domain' $ovomucoid_third_domain stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ovomucoid_third_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ovomucoid third domain' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 18 _Mol_residue_sequence LAAVSVDCSEYPKPACTL loop_ _Residue_seq_code _Residue_label 1 LEU 2 ALA 3 ALA 4 VAL 5 SER 6 VAL 7 ASP 8 CYS 9 SER 10 GLU 11 TYR 12 PRO 13 LYS 14 PRO 15 ALA 16 CYS 17 THR 18 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-12-28 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 BMRB 4068 OMTKY3 100.00 56 100.00 100.00 9.36e-03 BMRB 42 "ovomucoid third domain" 100.00 56 100.00 100.00 9.36e-03 BMRB 44 "ovomucoid third domain" 100.00 18 100.00 100.00 1.26e-02 BMRB 4864 OMTKY3 100.00 56 100.00 100.00 9.36e-03 BMRB 507 "ovomucoid third domain" 100.00 56 100.00 100.00 9.36e-03 BMRB 5411 OMTKY3 72.22 51 100.00 100.00 5.26e+00 BMRB 5413 OMTKY3 72.22 51 100.00 100.00 4.77e+00 BMRB 5414 OMTKY3 72.22 51 100.00 100.00 4.96e+00 BMRB 5415 OMTKY3 72.22 51 100.00 100.00 5.21e+00 BMRB 5416 OMTKY3 72.22 51 100.00 100.00 5.11e+00 BMRB 5417 OMTKY3 72.22 51 100.00 100.00 5.58e+00 BMRB 5418 OMTKY3 72.22 51 100.00 100.00 5.42e+00 BMRB 5419 OMTKY3 72.22 51 100.00 100.00 5.26e+00 BMRB 5421 OMTKY3 72.22 51 100.00 100.00 5.42e+00 BMRB 5422 OMTKY3 72.22 51 100.00 100.00 5.06e+00 BMRB 5423 OMTKY3 72.22 51 100.00 100.00 5.16e+00 BMRB 5448 OMTKY3 72.22 51 100.00 100.00 5.26e+00 BMRB 5518 OMTKY3 100.00 56 100.00 100.00 9.36e-03 BMRB 5519 OMIPF3 100.00 56 100.00 100.00 8.72e-03 PDB 1CHO "Crystal And Molecular Structures Of The Complex Of Alpha- Chymotrypsin With Its Inhibitor Turkey Ovomucoid Third Domain At 1.8 " 100.00 56 100.00 100.00 9.36e-03 PDB 1OMT "Solution Structure Of Ovomucoid (Third Domain) From Domestic Turkey (298k, Ph 4.1) (Nmr, 50 Structures) (Standard Noesy Analysi" 100.00 56 100.00 100.00 9.36e-03 PDB 1OMU "Solution Structure Of Ovomucoid (Third Domain) From Domestic Turkey (298k, Ph 4.1) (Nmr, 50 Structures) (Refined Model Using Ne" 100.00 56 100.00 100.00 9.36e-03 PDB 1OVO "Crystallographic Refinement Of Japanese Quail Ovomucoid, A Kazal-Type Inhibitor, And Model Building Studies Of Complexes With S" 88.89 56 100.00 100.00 1.97e-01 PDB 1PPF "X-Ray Crystal Structure Of The Complex Of Human Leukocyte Elastase (Pmn Elastase) And The Third Domain Of The Turkey Ovomucoid " 100.00 56 100.00 100.00 9.36e-03 PDB 1R0R "1.1 Angstrom Resolution Structure Of The Complex Between The Protein Inhibitor, Omtky3, And The Serine Protease, Subtilisin Car" 72.22 51 100.00 100.00 5.26e+00 PDB 1SGR "Leu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" 72.22 51 100.00 100.00 5.26e+00 PDB 1TUR "Solution Structure Of Turkey Ovomucoid Third Domain As Determined From Nuclear Magnetic Resonance Data" 100.00 56 100.00 100.00 9.36e-03 PDB 1TUS "Solution Structure Of Reactive-Site Hydrolyzed Turkey Ovomucoid Third Domain By Nuclear Magnetic Resonance And Distance Geometr" 100.00 56 100.00 100.00 9.36e-03 PDB 1YU6 "Crystal Structure Of The Subtilisin Carlsberg:omtky3 Complex" 100.00 185 100.00 100.00 2.48e-02 PDB 2GKR "Crystal Structure Of The N-Terminally Truncated Omtky3- Del(1-5)" 72.22 51 100.00 100.00 5.26e+00 PDB 2GKT "Crystal Structure Of The P14'-Ala32 Variant Of The N- Terminally Truncated Omtky3-Del(1-5)" 72.22 51 100.00 100.00 5.31e+00 PDB 2GKV "Crystal Structure Of The Sgpb:p14'-Ala32 Omtky3-Del(1-5) Complex" 72.22 51 100.00 100.00 5.31e+00 PDB 3OVO "Refined X-Ray Crystal Structures Of The Reactive Site Modified Ovomucoid Inhibitor Third Domains From Silver Pheasant (Omsvp3(A" 88.89 56 100.00 100.00 1.97e-01 PDB 3SGB "Structure Of The Complex Of Streptomyces Griseus Protease B And The Third Domain Of The Turkey Ovomucoid Inhibitor At 1.8 Angst" 100.00 56 100.00 100.00 9.36e-03 REF XP_003210408 "PREDICTED: ovomucoid isoform X1 [Meleagris gallopavo]" 100.00 209 100.00 100.00 3.08e-02 SP P01003 "RecName: Full=Ovomucoid [Coturnix japonica]" 88.89 186 100.00 100.00 4.66e-01 SP P05609 "RecName: Full=Ovomucoid, partial [Pavo cristatus]" 100.00 56 100.00 100.00 8.72e-03 SP P52245 "RecName: Full=Ovomucoid, partial [Crossoptilon crossoptilon]" 100.00 56 100.00 100.00 9.36e-03 SP P52263 "RecName: Full=Ovomucoid, partial [Pavo muticus]" 88.89 54 100.00 100.00 1.17e-01 SP P68390 "RecName: Full=Ovomucoid [Meleagris gallopavo]" 100.00 185 100.00 100.00 2.48e-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 _Tissue $ovomucoid_third_domain turkey 9103 Eukaryota Metazoa Meleagris gallopovo 'egg white' 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 $ovomucoid_third_domain '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 3.9 . na temperature 303 . 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 TMS C . . 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 'ovomucoid third domain' _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 LEU CA C 53 . 1 2 . 1 LEU CD1 C 23 . 2 3 . 1 LEU CD2 C 22.4 . 2 4 . 2 ALA CA C 50.8 . 1 5 . 2 ALA CB C 17.8 . 1 6 . 3 ALA CA C 50.9 . 1 7 . 3 ALA CB C 17.8 . 1 8 . 4 VAL CA C 60.4 . 1 9 . 4 VAL CG1 C 20.1 . 2 10 . 4 VAL CG2 C 18.8 . 2 11 . 5 SER CA C 56.2 . 1 12 . 5 SER CB C 63 . 1 13 . 6 VAL CA C 60 . 1 14 . 6 VAL CG1 C 20.3 . 2 15 . 6 VAL CG2 C 20.6 . 2 16 . 7 ASP CA C 51.7 . 1 17 . 8 CYS CA C 50.6 . 1 18 . 9 SER CA C 59.6 . 1 19 . 9 SER CB C 61.6 . 1 20 . 10 GLU CA C 54.7 . 1 21 . 10 GLU CG C 32.6 . 1 22 . 11 TYR CA C 56.1 . 1 23 . 12 PRO CA C 61 . 1 24 . 12 PRO CD C 49.8 . 1 25 . 13 LYS CA C 51.6 . 1 26 . 13 LYS CE C 40.3 . 1 27 . 14 PRO CA C 62.8 . 1 28 . 14 PRO CD C 49.2 . 1 29 . 15 ALA CA C 50.3 . 1 30 . 15 ALA CB C 19 . 1 31 . 16 CYS CA C 52.1 . 1 32 . 17 THR CA C 60.3 . 1 33 . 17 THR CB C 68.4 . 1 34 . 17 THR CG2 C 19.9 . 1 35 . 18 LEU CA C 54.8 . 1 36 . 18 LEU CD1 C 22.3 . 2 37 . 18 LEU CD2 C 23.7 . 2 stop_ save_