data_2475 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ligand-binding effects on the kringle 4 domain from human plasminogen: a study by laser photo-CIDNP 1H-NMR spectroscopy ; _BMRB_accession_number 2475 _BMRB_flat_file_name bmr2475.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 'De Marco' A. . . 2 Petros Andrew M. . 3 Llinas M. . . 4 Kaptein Robert . . 5 Boelens Rolf . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 27 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-17 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 ; De Marco, A., Petros, Andrew M., Llinas, M., Kaptein, Robert, Boelens, Rolf, "Ligand-binding effects on the kringle 4 domain from human plasminogen: a study by laser photo-CIDNP 1H-NMR spectroscopy," Biochim. Biophys. Acta 994, 121-137 (1989). ; _Citation_title ; Ligand-binding effects on the kringle 4 domain from human plasminogen: a study by laser photo-CIDNP 1H-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 'De Marco' A. . . 2 Petros Andrew M. . 3 Llinas M. . . 4 Kaptein Robert . . 5 Boelens Rolf . . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 994 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 121 _Page_last 137 _Year 1989 _Details . save_ ################################## # Molecular system description # ################################## save_system_plasminogen_kringle_4_domain _Saveframe_category molecular_system _Mol_system_name 'plasminogen kringle 4 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'plasminogen kringle 4 domain' $plasminogen_kringle_4_domain stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_plasminogen_kringle_4_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'plasminogen kringle 4 domain' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; VQDCYHGDGQSYRGTSSTTT TGKKCQSWSSMTPHRHQKTP ENYPNAGLTMNYCRNPDADK GPWCFTTDPSVRWEYCNLKK CSGTEASV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 VAL 2 2 GLN 3 3 ASP 4 4 CYS 5 5 TYR 6 6 HIS 7 7 GLY 8 8 ASP 9 9 GLY 10 10 GLN 11 11 SER 12 12 TYR 13 13 ARG 14 14 GLY 15 15 THR 16 16 SER 17 17 SER 18 18 THR 19 19 THR 20 20 THR 21 21 THR 22 22 GLY 23 23 LYS 24 24 LYS 25 25 CYS 26 26 GLN 27 27 SER 28 28 TRP 29 29 SER 30 30 SER 31 31 MET 32 32 THR 33 33 PRO 34 34 HIS 35 35 ARG 36 36 HIS 37 37 GLN 38 38 LYS 39 39 THR 40 40 PRO 41 41 GLU 42 42 ASN 43 43 TYR 44 44 PRO 45 45 ASN 46 46 ALA 47 47 GLY 48 48 LEU 49 49 THR 50 50 MET 51 51 ASN 52 52 TYR 53 53 CYS 54 54 ARG 55 55 ASN 56 56 PRO 57 57 ASP 58 58 ALA 59 59 ASP 60 60 LYS 61 61 GLY 62 62 PRO 63 63 TRP 64 64 CYS 65 65 PHE 66 66 THR 67 67 THR 68 68 ASP 69 69 PRO 70 70 SER 71 71 VAL 72 72 ARG 73 73 TRP 74 74 GLU 75 75 TYR 76 76 CYS 77 77 ASN 78 78 LEU 79 79 LYS 80 80 LYS 81 81 CYS 82 82 SER 83 83 GLY 84 84 THR 85 85 GLU 86 86 ALA 87 87 SER 88 88 VAL 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 BMRB 2473 "plasminogen kringle 4 domain" 100.00 88 100.00 100.00 2.99e-58 BMRB 2474 "plasminogen kringle 4 domain" 100.00 88 98.86 98.86 1.87e-57 PDB 1KRN "Structure Of Kringle 4 At 4c Temperature And 1.67 Angstroms Resolution" 100.00 88 100.00 100.00 2.99e-58 PDB 1PK4 "Crystal And Molecular Structure Of Human Plasminogen Kringle 4 Refined At 1.9-angstroms Resolution" 89.77 79 100.00 100.00 1.29e-51 PDB 1PMK "Kringle-Kringle Interactions In Multimer Kringle Structures" 100.00 88 100.00 100.00 2.99e-58 PDB 2PK4 "The Refined Structure Of The Epsilon-Aminocaproic Acid Complex Of Human Plasminogen Kringle" 90.91 80 100.00 100.00 2.14e-52 GB AAA60123 "covering first half of fourth kringle, partial [Homo sapiens]" 52.27 53 100.00 100.00 6.93e-16 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction $plasminogen_kringle_4_domain Human 9606 Eukaryota Metazoa Homo sapiens serum 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 $plasminogen_kringle_4_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 7.2 . na 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 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 'plasminogen kringle 4 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 . 6 HIS HB2 H 3.129 . 2 2 . 6 HIS HB3 H 2.999 . 2 3 . 6 HIS HD2 H 7.083 . 1 4 . 6 HIS HE1 H 7.717 . 1 5 . 28 TRP HZ3 H 6.497 . 1 6 . 43 TYR HD1 H 7.201 . 1 7 . 43 TYR HD2 H 7.201 . 1 8 . 43 TYR HE1 H 6.975 . 1 9 . 43 TYR HE2 H 6.975 . 1 10 . 52 TYR HB2 H 3.516 . 2 11 . 52 TYR HB3 H 2.85 . 2 12 . 52 TYR HD1 H 6.975 . 1 13 . 52 TYR HD2 H 6.975 . 1 14 . 63 TRP HH2 H 6.335 . 1 15 . 73 TRP HB2 H 3.129 . 2 16 . 73 TRP HB3 H 2.627 . 2 17 . 73 TRP HD1 H 6.268 . 1 18 . 73 TRP HE3 H 6.717 . 1 19 . 73 TRP HZ2 H 7.002 . 1 20 . 73 TRP HZ3 H 5.138 . 1 21 . 73 TRP HH2 H 6.824 . 1 22 . 75 TYR HB2 H 2.884 . 2 23 . 75 TYR HB3 H 3.417 . 2 24 . 75 TYR HD1 H 7.335 . 1 25 . 75 TYR HD2 H 7.335 . 1 26 . 75 TYR HE1 H 6.857 . 1 27 . 75 TYR HE2 H 6.857 . 1 stop_ save_