data_1375 ####################### # 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 1375 _BMRB_flat_file_name bmr1375.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" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-14 revision BMRB 'Complete 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' _Name_variant 'OMTKY3, fragment 2' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 38 _Mol_residue_sequence ; EYRPLCGSDNKTYGNKCNFC NAVVESNGTLTLSHFGKC ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 TYR 3 ARG 4 PRO 5 LEU 6 CYS 7 GLY 8 SER 9 ASP 10 ASN 11 LYS 12 THR 13 TYR 14 GLY 15 ASN 16 LYS 17 CYS 18 ASN 19 PHE 20 CYS 21 ASN 22 ALA 23 VAL 24 VAL 25 GLU 26 SER 27 ASN 28 GLY 29 THR 30 LEU 31 THR 32 LEU 33 SER 34 HIS 35 PHE 36 GLY 37 LYS 38 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 1374 "ovomucoid third domain" 100.00 38 100.00 100.00 2.71e-18 BMRB 4068 "turkey ovomucoid third domain" 100.00 56 100.00 100.00 2.09e-18 BMRB 42 "ovomucoid third domain" 100.00 56 100.00 100.00 2.09e-18 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 2.09e-18 PDB 1CSO "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Ile18i In Complex With Sgpb" 100.00 51 100.00 100.00 3.10e-18 PDB 1CT0 "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Ser18i In Complex With Sgpb" 100.00 51 100.00 100.00 3.24e-18 PDB 1CT2 "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Thr18i In Complex With Sgpb" 100.00 51 100.00 100.00 3.34e-18 PDB 1CT4 "Crystal Structure Of The Omtky3 P1 Variant Omtky3-Val18i In Complex With Sgpb" 100.00 51 100.00 100.00 3.31e-18 PDB 1DS2 "Crystal Structure Of Sgpb:omtky3-Coo-Leu18i" 100.00 51 100.00 100.00 3.57e-18 PDB 1DS3 "Crystal Structure Of Omtky3-Ch2-Asp19i" 100.00 51 97.37 100.00 1.14e-17 PDB 1HJA "Lys 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Alpha-Chymotrypsin" 100.00 51 100.00 100.00 3.57e-18 PDB 1IY5 "Solution Structure Of Wild Type Omsvp3" 100.00 54 100.00 100.00 2.14e-18 PDB 1IY6 "Solution Structure Of Omsvp3 Variant, P14cN39C" 100.00 54 97.37 97.37 3.49e-17 PDB 1M8B "Solution Structure Of The C State Of Turkey Ovomucoid At Ph 2.5" 100.00 56 100.00 100.00 1.84e-18 PDB 1M8C "Solution Structure Of The T State Of Turkey Ovomucoid At Ph 2.5" 100.00 56 100.00 100.00 1.84e-18 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 2.09e-18 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 2.09e-18 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 2.09e-18 PDB 1R0R "1.1 Angstrom Resolution Structure Of The Complex Between The Protein Inhibitor, Omtky3, And The Serine Protease, Subtilisin Car" 100.00 51 100.00 100.00 3.57e-18 PDB 1SGD "Asp 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" 100.00 51 100.00 100.00 3.72e-18 PDB 1SGE "Glu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" 100.00 51 100.00 100.00 3.53e-18 PDB 1SGN "Asn 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" 100.00 51 100.00 100.00 4.02e-18 PDB 1SGP "Ala 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" 100.00 51 100.00 100.00 2.87e-18 PDB 1SGQ "Gly 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" 100.00 51 100.00 100.00 4.02e-18 PDB 1SGR "Leu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" 100.00 51 100.00 100.00 3.57e-18 PDB 1SGY "Tyr 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" 100.00 51 100.00 100.00 4.02e-18 PDB 1TUR "Solution Structure Of Turkey Ovomucoid Third Domain As Determined From Nuclear Magnetic Resonance Data" 100.00 56 100.00 100.00 2.09e-18 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 2.09e-18 PDB 1YU6 "Crystal Structure Of The Subtilisin Carlsberg:omtky3 Complex" 100.00 185 100.00 100.00 2.49e-17 PDB 2GKR "Crystal Structure Of The N-Terminally Truncated Omtky3- Del(1-5)" 100.00 51 100.00 100.00 3.57e-18 PDB 2GKT "Crystal Structure Of The P14'-Ala32 Variant Of The N- Terminally Truncated Omtky3-Del(1-5)" 100.00 51 97.37 97.37 1.29e-17 PDB 2GKV "Crystal Structure Of The Sgpb:p14'-Ala32 Omtky3-Del(1-5) Complex" 100.00 51 97.37 97.37 1.29e-17 PDB 2NU0 "Molecular Structures Of The Complexes Of Sgpb With Omtky3 Aromatic P1 Variants Trp18i, His18i, Phe18i, And Tyr18i" 100.00 51 100.00 100.00 3.68e-18 PDB 2NU1 "Molecular Structures Of The Complexes Of Sgpb With Omtky3 Aromatic P1 Variants Trp18i, His18i, Phe18i And Tyr18i" 100.00 51 100.00 100.00 3.76e-18 PDB 2NU2 "Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Om" 100.00 51 100.00 100.00 3.53e-18 PDB 2NU3 "Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Om" 100.00 51 100.00 100.00 3.57e-18 PDB 2NU4 "Accommodation Of Positively-Charged Residues In A Hydrophobic Specificity Pocket: Crystal Structures Of Sgpb In Complex With Om" 100.00 51 100.00 100.00 3.57e-18 PDB 2OVO "The Crystal And Molecular Structure Of The Third Domain Of Silver Pheasant Ovomucoid (Omsvp3)" 100.00 56 100.00 100.00 1.84e-18 PDB 2SGD "Asp 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7" 100.00 51 100.00 100.00 3.72e-18 PDB 2SGE "Glu 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7" 100.00 51 100.00 100.00 3.53e-18 PDB 2SGF "Phe 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B" 100.00 51 100.00 100.00 4.02e-18 PDB 2SGP "Pro 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" 100.00 51 100.00 100.00 3.57e-18 PDB 2SGQ "Gln 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 6.5" 100.00 51 100.00 100.00 3.17e-18 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 2.09e-18 PDB 3SGQ "Gln 18 Variant Of Turkey Ovomucoid Inhibitor Third Domain Complexed With Streptomyces Griseus Proteinase B At Ph 10.7" 100.00 51 100.00 100.00 3.17e-18 PDB 4OVO "Refined X-Ray Crystal Structures Of The Reactive Site Modified Ovomucoid Inhibitor Third Domains From Silver Pheasant (Omsvp3(A" 100.00 56 100.00 100.00 1.70e-18 GB AAA48995 "ovomucoid protein, partial [Gallus gallus]" 63.16 24 100.00 100.00 6.95e-07 PIR A31445 "ovomucoid, third domain - ruffed grouse (fragment) [Bonasa umbellus]" 100.00 56 100.00 100.00 1.84e-18 PIR B61588 "ovomucoid (PSTI-type proteinase inhibitor), third domain - white-tailed ptarmigan [Lagopus leucura]" 100.00 56 100.00 100.00 1.84e-18 PIR C31438 "ovomucoid, third domain - cheer pheasant (fragment) [Catreus wallichii]" 100.00 56 100.00 100.00 1.84e-18 PIR D31440 "ovomucoid 1, third domain - gray junglefowl (fragment) [Gallus sonneratii]" 100.00 56 97.37 97.37 3.72e-17 PIR E31437 "ovomucoid, third domain - silver pheasant (fragment) [Lophura nycthemera]" 100.00 56 100.00 100.00 1.84e-18 REF XP_003210408 "PREDICTED: ovomucoid isoform X1 [Meleagris gallopavo]" 100.00 209 100.00 100.00 3.89e-17 REF XP_010717310 "PREDICTED: ovomucoid isoform X2 [Meleagris gallopavo]" 100.00 207 100.00 100.00 3.92e-17 SP P05589 "RecName: Full=Ovomucoid" 100.00 56 97.37 97.37 9.46e-18 SP P05591 "RecName: Full=Ovomucoid" 100.00 56 97.37 97.37 2.10e-17 SP P05598 "RecName: Full=Ovomucoid" 100.00 56 97.37 97.37 3.49e-17 SP P05601 "RecName: Full=Ovomucoid" 100.00 53 97.37 100.00 5.47e-18 SP P05609 "RecName: Full=Ovomucoid" 100.00 56 97.37 100.00 9.67e-18 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 GLU CA C 56 . 1 2 . 1 GLU CG C 32.7 . 1 3 . 2 TYR CA C 56.2 . 1 4 . 2 TYR CB C 37.2 . 1 5 . 3 ARG CA C 56.2 . 1 6 . 3 ARG CD C 42.1 . 1 7 . 4 PRO CA C 61.2 . 1 8 . 4 PRO CD C 48.3 . 1 9 . 5 LEU CA C 53.8 . 1 10 . 5 LEU CD1 C 24 . 2 11 . 5 LEU CD2 C 24.4 . 2 12 . 6 CYS CA C 53 . 1 13 . 8 SER CA C 59.4 . 1 14 . 8 SER CB C 60.6 . 1 15 . 9 ASP CA C 51.7 . 1 16 . 10 ASN CA C 53.3 . 1 17 . 10 ASN CB C 36.3 . 1 18 . 11 LYS CA C 54.2 . 1 19 . 11 LYS CE C 40.7 . 1 20 . 12 THR CA C 61.1 . 1 21 . 12 THR CB C 67.6 . 1 22 . 12 THR CG2 C 22 . 1 23 . 14 GLY CA C 45.8 . 1 24 . 15 ASN CA C 50.4 . 1 25 . 16 LYS CA C 58.7 . 1 26 . 16 LYS CE C 40.9 . 1 27 . 20 CYS CA C 54 . 1 28 . 21 ASN CA C 54.3 . 1 29 . 22 ALA CA C 53.6 . 1 30 . 22 ALA CB C 16.9 . 1 31 . 23 VAL CA C 65.3 . 1 32 . 23 VAL CG1 C 19.4 . 2 33 . 23 VAL CG2 C 21 . 2 34 . 24 VAL CA C 64.5 . 1 35 . 24 VAL CG1 C 19.8 . 1 36 . 24 VAL CG2 C 19.8 . 1 37 . 25 GLU CA C 56.1 . 1 38 . 25 GLU CG C 31.8 . 1 39 . 26 SER CA C 57.6 . 1 40 . 26 SER CB C 63 . 1 41 . 27 ASN CA C 52.8 . 1 42 . 27 ASN CB C 35.7 . 1 43 . 28 GLY CA C 44.2 . 1 44 . 29 THR CA C 61.7 . 1 45 . 29 THR CB C 68.4 . 1 46 . 29 THR CG2 C 19.9 . 1 47 . 30 LEU CA C 53.6 . 1 48 . 30 LEU CD1 C 21.7 . 2 49 . 30 LEU CD2 C 24.7 . 2 50 . 31 THR CA C 57.7 . 1 51 . 31 THR CB C 70.2 . 1 52 . 31 THR CG2 C 19.9 . 1 53 . 32 LEU CA C 58.6 . 1 54 . 32 LEU CD1 C 22.9 . 2 55 . 32 LEU CD2 C 24.6 . 2 56 . 33 SER CA C 58.7 . 1 57 . 33 SER CB C 61.9 . 1 58 . 34 HIS CA C 53.2 . 1 59 . 35 PHE CA C 58.9 . 1 60 . 35 PHE CB C 38.2 . 1 61 . 36 GLY CA C 42.8 . 1 62 . 37 LYS CA C 54.7 . 1 63 . 37 LYS CE C 40.3 . 1 64 . 38 CYS CA C 53.3 . 1 stop_ save_