data_1474 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H NMR Assignments and Structural Characterization of Bovine Seminal Fluid Protein PDC-109 Domain b ; _BMRB_accession_number 1474 _BMRB_flat_file_name bmr1474.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 Constantine Keith L. . 2 Ramesh Vasudevan . . 3 Banyai Laszlo . . 4 Trexler Maria . . 5 Patthy Laszlo . . 6 Llinas M. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 252 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 ; Constantine, Keith L., Ramesh, Vasudevan, Banyai, Laszlo, Trexler, Maria, Patthy, Laszlo, Llinas, M., "Sequence-specific 1H NMR Assignments and Structural Characterization of Bovine Seminal Fluid Protein PDC-109 Domain b," Biochemistry 30, 1663-1672 (1991). ; _Citation_title ; Sequence-specific 1H NMR Assignments and Structural Characterization of Bovine Seminal Fluid Protein PDC-109 Domain b ; _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 Constantine Keith L. . 2 Ramesh Vasudevan . . 3 Banyai Laszlo . . 4 Trexler Maria . . 5 Patthy Laszlo . . 6 Llinas M. . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 30 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1663 _Page_last 1672 _Year 1991 _Details . save_ ################################## # Molecular system description # ################################## save_system_bovine_seminal_fluid_protein _Saveframe_category molecular_system _Mol_system_name 'bovine seminal fluid protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'bovine seminal fluid protein' $bovine_seminal_fluid_protein stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_bovine_seminal_fluid_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'bovine seminal fluid protein' _Name_variant 'PDC-109 domain b' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 45 _Mol_residue_sequence ; DYAKCVFPFIYGGKKYETCT KIGSMWMSWCSLSPNYDKDR AWKYC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 ASP 2 2 TYR 3 3 ALA 4 4 LYS 5 5 CYS 6 6 VAL 7 7 PHE 8 8 PRO 9 9 PHE 10 10 ILE 11 11 TYR 12 12 GLY 13 13 GLY 14 14 LYS 15 15 LYS 16 16 TYR 17 17 GLU 18 18 THR 19 19 CYS 20 20 THR 21 21 LYS 22 22 ILE 23 23 GLY 24 24 SER 25 25 MET 26 26 TRP 27 27 MET 28 28 SER 29 29 TRP 30 30 CYS 31 31 SER 32 32 LEU 33 33 SER 34 34 PRO 35 35 ASN 36 36 TYR 37 37 ASP 38 38 LYS 39 39 ASP 40 40 ARG 41 41 ALA 42 42 TRP 43 43 LYS 44 44 TYR 45 45 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-05 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 1H8P "Bull Seminal Plasma Pdc-109 Fibronectin Type Ii Module" 100.00 109 100.00 100.00 7.95e-24 PDB 1PDC "Refined Solution Structure And Ligand-Binding Properties Of Pdc-109 Domain B. A Collagen-Binding Type Ii Domain" 100.00 45 100.00 100.00 4.60e-24 EMBL CAA43021 "bovine seminal vesicle secretory protein SVSP109 [Bos taurus]" 100.00 134 100.00 100.00 7.33e-24 EMBL CAA83915 "SVSP109 [Bos taurus]" 100.00 134 100.00 100.00 7.33e-24 GB AAA30766 "seminal vesicle secretory protein 109 precursor [Bos taurus]" 100.00 134 100.00 100.00 7.33e-24 GB AKZ18231 "binder of sperm 1 [Bubalus bubalis]" 100.00 138 97.78 97.78 2.77e-23 PRF 1512339A "major seminal protein" 100.00 134 100.00 100.00 7.33e-24 REF NP_001001145 "seminal plasma protein PDC-109 precursor [Bos taurus]" 100.00 134 100.00 100.00 7.33e-24 REF XP_005907227 "PREDICTED: seminal plasma protein PDC-109 [Bos mutus]" 100.00 135 97.78 97.78 4.36e-23 REF XP_006052464 "PREDICTED: seminal plasma protein PDC-109-like [Bubalus bubalis]" 100.00 135 97.78 97.78 2.19e-23 SP P02784 "RecName: Full=Seminal plasma protein PDC-109; AltName: Full=BSP-A1 and BSP-A2; AltName: Full=Seminal vesicle secretory protein " 100.00 134 100.00 100.00 7.33e-24 TPG DAA19540 "TPA: seminal plasma protein PDC-109 precursor [Bos taurus]" 100.00 134 100.00 100.00 7.33e-24 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 _Fraction $bovine_seminal_fluid_protein cow 9909 Eukaryota Metazoa Bos primigenius generic 'seminal plasma' 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 $bovine_seminal_fluid_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 6.8 . na temperature 300 . 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 'bovine seminal fluid 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 . 2 TYR HA H 4.7 . 1 2 . 2 TYR HB2 H 3.01 . 2 3 . 2 TYR HB3 H 3.14 . 2 4 . 2 TYR HD1 H 7.18 . 1 5 . 2 TYR HD2 H 7.18 . 1 6 . 2 TYR HE1 H 6.87 . 1 7 . 2 TYR HE2 H 6.87 . 1 8 . 3 ALA H H 8.16 . 1 9 . 3 ALA HA H 4.25 . 1 10 . 3 ALA HB H 1.34 . 1 11 . 5 CYS H H 8.17 . 1 12 . 5 CYS HA H 4.22 . 1 13 . 5 CYS HB2 H 3.09 . 2 14 . 5 CYS HB3 H 2.53 . 2 15 . 6 VAL H H 7.89 . 1 16 . 6 VAL HA H 3.82 . 1 17 . 6 VAL HB H 1.36 . 1 18 . 6 VAL HG1 H .69 . 1 19 . 6 VAL HG2 H .74 . 1 20 . 7 PHE H H 7.84 . 1 21 . 7 PHE HA H 5.29 . 1 22 . 7 PHE HB2 H 2.77 . 1 23 . 7 PHE HB3 H 3.06 . 1 24 . 7 PHE HD1 H 7.23 . 1 25 . 7 PHE HD2 H 7.23 . 1 26 . 7 PHE HE1 H 7.13 . 1 27 . 7 PHE HE2 H 7.13 . 1 28 . 7 PHE HZ H 6.85 . 1 29 . 8 PRO HA H 5.4 . 1 30 . 8 PRO HB2 H 1.92 . 1 31 . 8 PRO HB3 H 2.37 . 1 32 . 8 PRO HG2 H 2.06 . 2 33 . 8 PRO HG3 H 2.61 . 2 34 . 9 PHE H H 8.89 . 1 35 . 9 PHE HA H 5.79 . 1 36 . 9 PHE HB2 H 3.7 . 2 37 . 9 PHE HB3 H 3.05 . 2 38 . 9 PHE HD1 H 7.62 . 1 39 . 9 PHE HD2 H 7.62 . 1 40 . 9 PHE HE1 H 6.94 . 1 41 . 9 PHE HE2 H 6.94 . 1 42 . 9 PHE HZ H 6.41 . 1 43 . 10 ILE H H 8.37 . 1 44 . 10 ILE HA H 5.25 . 1 45 . 10 ILE HB H 1.96 . 1 46 . 10 ILE HG12 H 1.24 . 2 47 . 10 ILE HG13 H 1.69 . 2 48 . 10 ILE HG2 H .96 . 1 49 . 10 ILE HD1 H .84 . 1 50 . 11 TYR H H 9.55 . 1 51 . 11 TYR HA H 5.49 . 1 52 . 11 TYR HB2 H 3.15 . 2 53 . 11 TYR HB3 H 3.46 . 2 54 . 11 TYR HD1 H 7.15 . 1 55 . 11 TYR HD2 H 7.15 . 1 56 . 11 TYR HE1 H 6.69 . 1 57 . 11 TYR HE2 H 6.69 . 1 58 . 12 GLY H H 12.22 . 1 59 . 12 GLY HA2 H 3.48 . 2 60 . 12 GLY HA3 H 3.77 . 2 61 . 13 GLY H H 8.9 . 1 62 . 13 GLY HA2 H 3.59 . 2 63 . 13 GLY HA3 H 4.17 . 2 64 . 14 LYS H H 7.78 . 1 65 . 14 LYS HA H 4.63 . 1 66 . 14 LYS HB2 H 1.75 . 2 67 . 14 LYS HB3 H 1.86 . 2 68 . 14 LYS HG2 H 1.45 . 1 69 . 14 LYS HG3 H 1.45 . 1 70 . 14 LYS HD2 H 1.59 . 1 71 . 14 LYS HD3 H 1.59 . 1 72 . 14 LYS HE2 H 2.97 . 1 73 . 14 LYS HE3 H 2.97 . 1 74 . 15 LYS H H 8.13 . 1 75 . 15 LYS HA H 4.78 . 1 76 . 15 LYS HB2 H 1.58 . 2 77 . 15 LYS HB3 H 1.62 . 2 78 . 15 LYS HG2 H 1.14 . 1 79 . 15 LYS HG3 H 1.14 . 1 80 . 15 LYS HD2 H 1.41 . 1 81 . 15 LYS HD3 H 1.41 . 1 82 . 15 LYS HE2 H 2.91 . 1 83 . 15 LYS HE3 H 2.91 . 1 84 . 16 TYR H H 9.28 . 1 85 . 16 TYR HA H 4.3 . 1 86 . 16 TYR HB2 H 1.16 . 2 87 . 16 TYR HB3 H 2.54 . 2 88 . 16 TYR HD1 H 7.05 . 1 89 . 16 TYR HD2 H 7.05 . 1 90 . 16 TYR HE1 H 7.14 . 1 91 . 16 TYR HE2 H 7.14 . 1 92 . 17 GLU H H 8.83 . 1 93 . 17 GLU HA H 4.38 . 1 94 . 17 GLU HB2 H 1.79 . 2 95 . 17 GLU HB3 H 2.19 . 2 96 . 18 THR H H 7.43 . 1 97 . 18 THR HA H 3.67 . 1 98 . 18 THR HB H 4.21 . 1 99 . 18 THR HG2 H 1.02 . 1 100 . 19 CYS H H 8.2 . 1 101 . 19 CYS HA H 4.75 . 1 102 . 19 CYS HB2 H 2.9 . 2 103 . 19 CYS HB3 H 3.56 . 2 104 . 20 THR H H 8.82 . 1 105 . 20 THR HA H 4.78 . 1 106 . 20 THR HB H 3.65 . 1 107 . 20 THR HG2 H .09 . 1 108 . 21 LYS H H 8.31 . 1 109 . 21 LYS HA H 4.67 . 1 110 . 21 LYS HB2 H 1.63 . 2 111 . 21 LYS HB3 H 2.06 . 2 112 . 21 LYS HG2 H 1.27 . 2 113 . 21 LYS HG3 H 1.43 . 2 114 . 22 ILE H H 8.41 . 1 115 . 22 ILE HA H 4.05 . 1 116 . 22 ILE HB H 1.93 . 1 117 . 22 ILE HG12 H 1.39 . 2 118 . 22 ILE HG13 H 1.64 . 2 119 . 22 ILE HG2 H 1.01 . 1 120 . 22 ILE HD1 H .94 . 1 121 . 23 GLY H H 8.63 . 1 122 . 23 GLY HA2 H 3.69 . 2 123 . 23 GLY HA3 H 4.16 . 2 124 . 24 SER H H 8.14 . 1 125 . 24 SER HA H 4.5 . 1 126 . 24 SER HB2 H 3.76 . 2 127 . 24 SER HB3 H 3.88 . 2 128 . 25 MET H H 8.45 . 1 129 . 25 MET HA H 4.39 . 1 130 . 25 MET HB2 H 1.4 . 2 131 . 25 MET HB3 H 1.92 . 2 132 . 25 MET HG3 H 2.19 . 1 133 . 26 TRP H H 8.34 . 1 134 . 26 TRP HA H 4.83 . 1 135 . 26 TRP HB2 H 3.28 . 2 136 . 26 TRP HB3 H 3.34 . 2 137 . 26 TRP HD1 H 7.19 . 1 138 . 26 TRP HE1 H 10.19 . 1 139 . 26 TRP HE3 H 7.57 . 1 140 . 26 TRP HZ3 H 7.13 . 1 141 . 26 TRP HH2 H 7.22 . 1 142 . 27 MET H H 7.55 . 1 143 . 27 MET HA H 4.55 . 1 144 . 27 MET HB2 H 1.72 . 2 145 . 27 MET HB3 H 2.06 . 2 146 . 27 MET HG2 H 2.38 . 1 147 . 27 MET HG3 H 2.38 . 1 148 . 28 SER H H 8.66 . 1 149 . 28 SER HA H 5.02 . 1 150 . 28 SER HB2 H 3.74 . 2 151 . 28 SER HB3 H 3.8 . 2 152 . 29 TRP H H 9.58 . 1 153 . 29 TRP HA H 5.78 . 1 154 . 29 TRP HB2 H 2.97 . 2 155 . 29 TRP HB3 H 3.68 . 2 156 . 29 TRP HD1 H 7.1 . 1 157 . 29 TRP HE1 H 9.66 . 1 158 . 29 TRP HE3 H 7.08 . 1 159 . 29 TRP HZ2 H 5.6 . 1 160 . 29 TRP HZ3 H 5.77 . 1 161 . 29 TRP HH2 H 5.39 . 1 162 . 30 CYS H H 9.49 . 1 163 . 30 CYS HA H 4.48 . 1 164 . 30 CYS HB2 H 2.01 . 2 165 . 30 CYS HB3 H 2.28 . 2 166 . 31 SER HA H 4.99 . 1 167 . 31 SER HB2 H 3.09 . 2 168 . 31 SER HB3 H 3.45 . 2 169 . 32 LEU H H 8.02 . 1 170 . 32 LEU HB2 H 1.34 . 2 171 . 32 LEU HB3 H 1.74 . 2 172 . 32 LEU HG H 1.25 . 1 173 . 32 LEU HD1 H .53 . 2 174 . 32 LEU HD2 H .7 . 2 175 . 33 SER H H 8.4 . 1 176 . 33 SER HA H 5.12 . 1 177 . 33 SER HB2 H 3.64 . 2 178 . 33 SER HB3 H 4.41 . 2 179 . 34 PRO HA H 4.66 . 1 180 . 34 PRO HB2 H 2.02 . 1 181 . 34 PRO HB3 H 2.73 . 1 182 . 34 PRO HG2 H 2.11 . 2 183 . 34 PRO HG3 H 2.22 . 2 184 . 34 PRO HD2 H 3.91 . 2 185 . 34 PRO HD3 H 4 . 2 186 . 35 ASN H H 8.15 . 1 187 . 35 ASN HA H 5.24 . 1 188 . 35 ASN HB2 H 2.6 . 2 189 . 35 ASN HB3 H 3.19 . 2 190 . 35 ASN HD21 H 7.19 . 2 191 . 35 ASN HD22 H 7.7 . 2 192 . 36 TYR H H 9.15 . 1 193 . 36 TYR HA H 5.09 . 1 194 . 36 TYR HB2 H 3.48 . 1 195 . 36 TYR HB3 H 3.76 . 1 196 . 36 TYR HD1 H 7.29 . 1 197 . 36 TYR HD2 H 7.29 . 1 198 . 36 TYR HE1 H 6.46 . 1 199 . 36 TYR HE2 H 6.46 . 1 200 . 37 ASP H H 7.69 . 1 201 . 37 ASP HA H 4.32 . 1 202 . 37 ASP HB2 H 2.74 . 1 203 . 37 ASP HB3 H 3.18 . 1 204 . 38 LYS HG2 H 1.17 . 2 205 . 38 LYS HG3 H 1.38 . 2 206 . 38 LYS HZ H 6.98 . 1 207 . 39 ASP H H 7.75 . 1 208 . 39 ASP HA H 4.54 . 1 209 . 39 ASP HB2 H 2.64 . 1 210 . 39 ASP HB3 H 2.75 . 1 211 . 40 ARG H H 7.98 . 1 212 . 40 ARG HA H 4.21 . 1 213 . 40 ARG HB2 H 1.76 . 2 214 . 40 ARG HB3 H 1.88 . 2 215 . 40 ARG HG2 H 1.62 . 1 216 . 40 ARG HG3 H 1.62 . 1 217 . 40 ARG HD2 H 3.08 . 2 218 . 40 ARG HD3 H 3.23 . 2 219 . 40 ARG HE H 5.84 . 1 220 . 41 ALA H H 8.54 . 1 221 . 41 ALA HA H 5.01 . 1 222 . 41 ALA HB H 1.35 . 1 223 . 42 TRP H H 8.57 . 1 224 . 42 TRP HA H 5.58 . 1 225 . 42 TRP HB2 H 3.06 . 2 226 . 42 TRP HB3 H 3.44 . 2 227 . 42 TRP HD1 H 7.24 . 1 228 . 42 TRP HE1 H 9.81 . 1 229 . 42 TRP HE3 H 6.84 . 1 230 . 42 TRP HZ2 H 7.17 . 1 231 . 42 TRP HZ3 H 5.16 . 1 232 . 42 TRP HH2 H 6.71 . 1 233 . 43 LYS H H 8.88 . 1 234 . 43 LYS HA H 4.09 . 1 235 . 43 LYS HB2 H 1.6 . 2 236 . 43 LYS HB3 H 1.84 . 2 237 . 43 LYS HG2 H 1.14 . 1 238 . 43 LYS HG3 H 1.14 . 1 239 . 43 LYS HD2 H 1.35 . 2 240 . 43 LYS HD3 H 1.41 . 2 241 . 44 TYR H H 8.43 . 1 242 . 44 TYR HA H 5.28 . 1 243 . 44 TYR HB2 H 3.46 . 1 244 . 44 TYR HB3 H 2.86 . 1 245 . 44 TYR HD1 H 7.44 . 1 246 . 44 TYR HD2 H 7.44 . 1 247 . 44 TYR HE1 H 6.95 . 1 248 . 44 TYR HE2 H 6.95 . 1 249 . 45 CYS H H 8.87 . 1 250 . 45 CYS HA H 4.47 . 1 251 . 45 CYS HB2 H 3.19 . 2 252 . 45 CYS HB3 H 3.6 . 2 stop_ save_