data_398 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Experimental Evidence of an alpha Helix in Desulfovibrio desulfuricans Norway Ferredoxin I: A Two-Dimensional NMR Study ; _BMRB_accession_number 398 _BMRB_flat_file_name bmr398.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 Marion Dominique . . 2 Guerlesquin Francoise . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 43 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-11 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 ; Marion, Dominique, Guerlesquin, Francoise, "Experimental Evidence of an alpha Helix in Desulfovibrio desulfuricans Norway Ferredoxin I: A Two-Dimensional NMR Study," Biochem. Biophys. Res. Commun. 159 (2), 592-598 (1989). ; _Citation_title ; Experimental Evidence of an alpha Helix in Desulfovibrio desulfuricans Norway Ferredoxin I: A Two-Dimensional NMR Study ; _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 Marion Dominique . . 2 Guerlesquin Francoise . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 159 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 592 _Page_last 598 _Year 1989 _Details . save_ ################################## # Molecular system description # ################################## save_system_ferredoxin_I _Saveframe_category molecular_system _Mol_system_name 'ferredoxin I' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ferredoxin I' $ferredoxin_I stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ferredoxin_I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'ferredoxin I' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; TIVIDHEECIGCESCVELCP EVFAMIDGEEKAMVTAPDST AECAQDAIDACPVEAISKE ; loop_ _Residue_seq_code _Residue_label 1 THR 2 ILE 3 VAL 4 ILE 5 ASP 6 HIS 7 GLU 8 GLU 9 CYS 10 ILE 11 GLY 12 CYS 13 GLU 14 SER 15 CYS 16 VAL 17 GLU 18 LEU 19 CYS 20 PRO 21 GLU 22 VAL 23 PHE 24 ALA 25 MET 26 ILE 27 ASP 28 GLY 29 GLU 30 GLU 31 LYS 32 ALA 33 MET 34 VAL 35 THR 36 ALA 37 PRO 38 ASP 39 SER 40 THR 41 ALA 42 GLU 43 CYS 44 ALA 45 GLN 46 ASP 47 ALA 48 ILE 49 ASP 50 ALA 51 CYS 52 PRO 53 VAL 54 GLU 55 ALA 56 ILE 57 SER 58 LYS 59 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-13 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 4 "ferredoxin I" 100.00 59 100.00 100.00 3.90e-31 PDB 1DWL "The Ferredoxin-Cytochrome Complex Using Heteronuclear Nmr And Docking Simulation" 100.00 59 100.00 100.00 3.90e-31 GB ACU91052 "4Fe-4S ferredoxin iron-sulfur binding domain protein [Desulfomicrobium baculatum DSM 4028]" 98.31 60 98.28 100.00 6.93e-30 REF WP_015775141 "ferredoxin [Desulfomicrobium baculatum]" 98.31 60 98.28 100.00 6.93e-30 SP P07485 "RecName: Full=Ferredoxin-1; AltName: Full=Ferredoxin I; Short=FdI" 100.00 59 100.00 100.00 3.90e-31 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 $ferredoxin_I 'Pacific electric ray' 7787 Eukaryota Metazoa Torpedo californica generic 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 $ferredoxin_I '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 4.75 . na temperature 297 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Saveframe_category chemical_shift_reference _Details 'The chemical shift reference is not available at this time.' 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 'ferredoxin I' _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 . 41 ALA H H 8.61 . 1 2 . 41 ALA HA H 4.13 . 1 3 . 41 ALA HB H 1.33 . 1 4 . 42 GLU H H 9.19 . 1 5 . 42 GLU HA H 4.07 . 1 6 . 42 GLU HB2 H 2.09 . 2 7 . 42 GLU HB3 H 2.11 . 2 8 . 43 CYS H H 8.49 . 1 9 . 43 CYS HA H 4.66 . 1 10 . 43 CYS HB2 H 2.93 . 2 11 . 43 CYS HB3 H 3.8 . 2 12 . 44 ALA H H 7.71 . 1 13 . 44 ALA HA H 4.02 . 1 14 . 44 ALA HB H 1.4 . 1 15 . 45 GLN H H 7.67 . 1 16 . 45 GLN HA H 3.82 . 1 17 . 45 GLN HB2 H 2.11 . 2 18 . 45 GLN HB3 H 2.16 . 2 19 . 45 GLN HG2 H 2.33 . 2 20 . 45 GLN HG3 H 2.36 . 2 21 . 45 GLN HE21 H 6.78 . 2 22 . 45 GLN HE22 H 7.78 . 2 23 . 46 ASP H H 7.06 . 1 24 . 46 ASP HA H 4.23 . 1 25 . 46 ASP HB2 H 2.61 . 2 26 . 46 ASP HB3 H 2.69 . 2 27 . 47 ALA H H 7.75 . 1 28 . 47 ALA HA H 3.5 . 1 29 . 47 ALA HB H .92 . 1 30 . 48 ILE H H 7.91 . 1 31 . 48 ILE HA H 3.19 . 1 32 . 48 ILE HB H 1.86 . 1 33 . 48 ILE HG12 H .53 . 2 34 . 48 ILE HG13 H 1.69 . 2 35 . 48 ILE HG2 H .8 . 1 36 . 48 ILE HD1 H .69 . 1 37 . 49 ASP H H 8.08 . 1 38 . 49 ASP HA H 4.36 . 1 39 . 49 ASP HB2 H 2.68 . 1 40 . 49 ASP HB3 H 2.68 . 1 41 . 50 ALA H H 7.37 . 1 42 . 50 ALA HA H 4.11 . 1 43 . 50 ALA HB H 1.23 . 1 stop_ save_