data_1441

#######################
#  Entry information  #
#######################

save_entry_information
   _Saveframe_category      entry_information

   _Entry_title            
;
Two-Dimensional Magnetization Exchange Spectroscopy of Anabaena 7120 Ferredoxin.
 Nuclear Overhauser Effect and Electron Self Exchange Cross Peaks from Amino 
Acid Residues Surrounding the 2Fe-2S, Cluster
;
   _BMRB_accession_number   1441
   _BMRB_flat_file_name     bmr1441.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 Skjeldal Lars     .  . 
      2 Westler  William  M. . 
      3 Oh       Byung-Ha .  . 
      4 Krezel   Andrzej  M. . 
      5 Holden   Hazel    M. . 
      6 Jacobson Bruce    L. . 
      7 Rayment  Ivan     .  . 
      8 Markley  John     L. . 

   stop_

   loop_
      _Saveframe_category_type
      _Saveframe_category_type_count

      assigned_chemical_shifts 1 

   stop_

   loop_
      _Data_type
      _Data_type_count

      "1H chemical shifts" 3 

   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               
;
 Skjeldal, Lars, Westler, William M., Oh, Byung-Ha, Krezel, Andrzej M., 
 Holden, Hazel M., Jacobson, Bruce L., Rayment, Ivan, Markley, John L., 
 "Two-Dimensional Magnetization Exchange Spectroscopy of Anabaena 7120 
 Ferredoxin. Nuclear Overhauser Effect and Electron Self Exchange Cross 
 Peaks from Amino Acid Residues Surrounding the 2Fe-2S, Cluster,"
 Biochemistry 30 (30), 7363-7368 (1991).
;
   _Citation_title              
;
Two-Dimensional Magnetization Exchange Spectroscopy of Anabaena 7120 Ferredoxin.
 Nuclear Overhauser Effect and Electron Self Exchange Cross Peaks from Amino 
Acid Residues Surrounding the 2Fe-2S, Cluster
;
   _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 Skjeldal Lars     .  . 
      2 Westler  William  M. . 
      3 Oh       Byung-Ha .  . 
      4 Krezel   Andrzej  M. . 
      5 Holden   Hazel    M. . 
      6 Jacobson Bruce    L. . 
      7 Rayment  Ivan     .  . 
      8 Markley  John     L. . 

   stop_

   _Journal_abbreviation         Biochemistry
   _Journal_volume               30
   _Journal_issue                30
   _Journal_CSD                  .
   _Book_chapter_title           .
   _Book_volume                  .
   _Book_series                  .
   _Book_ISBN                    .
   _Conference_state_province    .
   _Conference_abstract_number   .
   _Page_first                   7363
   _Page_last                    7368
   _Year                         1991
   _Details                      .

save_


##################################
#  Molecular system description  #
##################################

save_system_2Fe-2S_ferredoxin
   _Saveframe_category         molecular_system

   _Mol_system_name           '2Fe-2S ferredoxin'
   _Enzyme_commission_number   .

   loop_
      _Mol_system_component_name
      _Mol_label

      '2Fe-2S ferredoxin' $2Fe-2S_ferredoxin 

   stop_

   _System_molecular_weight    .
   _System_oligomer_state      ?
   _System_paramagnetic        ?
   _System_thiol_state         .
   _Database_query_date        .
   _Details                    .

save_


    ########################
    #  Monomeric polymers  #
    ########################

save_2Fe-2S_ferredoxin
   _Saveframe_category                          monomeric_polymer

   _Mol_type                                    polymer
   _Mol_polymer_class                           protein
   _Name_common                                '2Fe-2S ferredoxin'
   _Molecular_mass                              .
   _Mol_thiol_state                             .
   _Details                                     .

   	##############################
   	#  Polymer residue sequence  #
   	##############################
   
      _Residue_count                               98
   _Mol_residue_sequence                       
;
ATFKVTLINEAEGTKHEIEV
PDDEYILDAAEEQGYDLPFS
CRAGACSTCAGKLVSGTVDQ
SDQSFLDDDQIEAGYVLTCV
AYPTSDVVIQTHKEEDLY
;

   loop_
      _Residue_seq_code
      _Residue_label

       1 ALA   2 THR   3 PHE   4 LYS   5 VAL 
       6 THR   7 LEU   8 ILE   9 ASN  10 GLU 
      11 ALA  12 GLU  13 GLY  14 THR  15 LYS 
      16 HIS  17 GLU  18 ILE  19 GLU  20 VAL 
      21 PRO  22 ASP  23 ASP  24 GLU  25 TYR 
      26 ILE  27 LEU  28 ASP  29 ALA  30 ALA 
      31 GLU  32 GLU  33 GLN  34 GLY  35 TYR 
      36 ASP  37 LEU  38 PRO  39 PHE  40 SER 
      41 CYS  42 ARG  43 ALA  44 GLY  45 ALA 
      46 CYS  47 SER  48 THR  49 CYS  50 ALA 
      51 GLY  52 LYS  53 LEU  54 VAL  55 SER 
      56 GLY  57 THR  58 VAL  59 ASP  60 GLN 
      61 SER  62 ASP  63 GLN  64 SER  65 PHE 
      66 LEU  67 ASP  68 ASP  69 ASP  70 GLN 
      71 ILE  72 GLU  73 ALA  74 GLY  75 TYR 
      76 VAL  77 LEU  78 THR  79 CYS  80 VAL 
      81 ALA  82 TYR  83 PRO  84 THR  85 SER 
      86 ASP  87 VAL  88 VAL  89 ILE  90 GLN 
      91 THR  92 HIS  93 LYS  94 GLU  95 GLU 
      96 ASP  97 LEU  98 TYR 

   stop_

   _Sequence_homology_query_date                .
   _Sequence_homology_query_revised_last_date   2015-10-07

   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         1439 "2Fe-2S ferredoxin"                                                                                                               100.00 98 100.00 100.00 2.07e-63 
      BMRB         1440 "2Fe-2S ferredoxin"                                                                                                               100.00 98 100.00 100.00 2.07e-63 
      BMRB         2463 "2Fe-2S ferredoxin"                                                                                                               100.00 98 100.00 100.00 2.07e-63 
      BMRB         4441 "Anabaena 7120 vegetative Ferredoxin"                                                                                             100.00 98 100.00 100.00 2.07e-63 
      BMRB         4442 "Anabaena 7120 vegetative Ferredoxin"                                                                                             100.00 98 100.00 100.00 2.07e-63 
      BMRB          447 "2Fe-2S ferredoxin"                                                                                                               100.00 98 100.00 100.00 2.07e-63 
      PDB  1CZP          "Anabaena Pcc7119 [2fe-2s] Ferredoxin In The Reduced And Oxixized State At 1.17 A"                                                100.00 98 100.00 100.00 2.07e-63 
      PDB  1EWY          "Anabaena Pcc7119 Ferredoxin:ferredoxin-Nadp+-Reductase Complex"                                                                  100.00 98 100.00 100.00 2.07e-63 
      PDB  1FXA          "Crystallization And Structure Determination To 2.5-Angstroms Resolution Of The Oxidized [2fe-2s] Ferredoxin Isolated From Anaba" 100.00 98 100.00 100.00 2.07e-63 
      PDB  1J7A          "Structure Of The Anabaena Ferredoxin D68k Mutant"                                                                                100.00 98  98.98  98.98 1.24e-62 
      PDB  1J7B          "Structure Of The Anabaena Ferredoxin Mutant E94k"                                                                                100.00 98  98.98 100.00 7.24e-63 
      PDB  1J7C          "Structure Of The Anabaena Ferredoxin Mutant E95k"                                                                                100.00 98  98.98 100.00 7.24e-63 
      PDB  1QOA          "Ferredoxin Mutation C49s"                                                                                                        100.00 98  98.98  98.98 2.77e-62 
      PDB  1QOB          "Ferredoxin Mutation D62k"                                                                                                        100.00 98  98.98  98.98 1.24e-62 
      PDB  1QOF          "Ferredoxin Mutation Q70k"                                                                                                        100.00 98  98.98 100.00 7.57e-63 
      PDB  1QOG          "Ferredoxin Mutation S47a"                                                                                                        100.00 98  98.98 100.00 5.82e-63 
      PDB  1QT9          "Oxidized [2fe-2s] Ferredoxin From Anabaena Pcc7119"                                                                              100.00 98 100.00 100.00 2.07e-63 
      DBJ  BAB75847      "ferredoxin I [Nostoc sp. PCC 7120]"                                                                                              100.00 99 100.00 100.00 1.71e-63 
      GB   AAA22021      "ferredoxin I [Anabaena sp.]"                                                                                                     100.00 99 100.00 100.00 1.71e-63 
      PRF  1001142A      "ferredoxin II"                                                                                                                   100.00 98  97.96  98.98 8.42e-62 
      REF  WP_010998287  "Ferredoxin-1 [Nostoc sp. PCC 7120]"                                                                                              100.00 99 100.00 100.00 1.71e-63 
      SP   P00253        "RecName: Full=Ferredoxin"                                                                                                        100.00 99  98.98 100.00 7.31e-63 
      SP   P0A3C7        "RecName: Full=Ferredoxin-1; AltName: Full=Ferredoxin I"                                                                          100.00 99 100.00 100.00 1.71e-63 
      SP   P0A3C8        "RecName: Full=Ferredoxin-1; AltName: Full=Ferredoxin I"                                                                          100.00 99 100.00 100.00 1.71e-63 

   stop_

save_


    ####################
    #  Natural source  #
    ####################

save_natural_source
   _Saveframe_category   natural_source


   loop_
      _Mol_label
      _Organism_name_common
      _NCBI_taxonomy_ID
      _Superkingdom
      _Kingdom
      _Genus
      _Species

      $2Fe-2S_ferredoxin . 1180 Bacteria . Nostoc sp. 

   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

      $2Fe-2S_ferredoxin '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            8.2 . 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       '2Fe-2S ferredoxin'
   _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 . 42 ARG HA H  5.81 . 1 
      2 . 49 CYS HA H 14.62 . 1 
      3 . 79 CYS HA H  8.88 . 1 

   stop_

save_