data_1841
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Proton Hyperfine Resonance Assignments in Cyanide-ligated Cytochrome c
Peroxidase Using the Nuclear Overhauser Effect
;
_BMRB_accession_number 1841
_BMRB_flat_file_name bmr1841.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 Satterlee James D. .
2 Erman James E. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 7
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
1995-07-31 original BMRB 'Last release in original BMRB flat-file format'
1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format'
1996-04-13 revision BMRB 'Link to the Protein Data Bank added'
1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full
;
Satterlee, James D., Erman, James E.,
"Proton Hyperfine Resonance Assignments in Cyanide-ligated Cytochrome c
Peroxidase Using the Nuclear Overhauser Effect,"
J. Biol. Chem. 262 (24), 11578-11583 (1987).
;
_Citation_title
;
Proton Hyperfine Resonance Assignments in Cyanide-ligated Cytochrome c
Peroxidase Using the Nuclear Overhauser Effect
;
_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 Satterlee James D. .
2 Erman James E. .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_volume 262
_Journal_issue 24
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 11578
_Page_last 11583
_Year 1987
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_cytochrome_c_peroxidase
_Saveframe_category molecular_system
_Mol_system_name 'cytochrome c peroxidase'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'cytochrome c peroxidase' $cytochrome_c_peroxidase
stop_
_System_molecular_weight .
_System_oligomer_state ?
_System_paramagnetic ?
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_cytochrome_c_peroxidase
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'cytochrome c peroxidase'
_Name_variant 'cyanide ligated'
_Molecular_mass .
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 232
_Mol_residue_sequence
;
XXXXXXXXXXXXXXXXXXXX
XXXXXXXXXXXXXXXXXXXX
XXXXXXXRXXXHXXXXXXXX
XXXXXXXXXXXXXXXXXXXX
XXXXXXXXXXXXXXXXXXXX
XXXXXXXXXXXXXXXXXXXX
XXXXXXXXXXXXXXXXXXXX
XXXXXXXXXXXXXXXXXXXX
XXXXXXXXXXXXXXHXXXXT
XXXXXXXXXXXXXXXXXXXX
XXXXXXXXXXXXXXXXXXXX
XXXXXXXXXXXL
;
loop_
_Residue_seq_code
_Residue_label
1 X 2 X 3 X 4 X 5 X
6 X 7 X 8 X 9 X 10 X
11 X 12 X 13 X 14 X 15 X
16 X 17 X 18 X 19 X 20 X
21 X 22 X 23 X 24 X 25 X
26 X 27 X 28 X 29 X 30 X
31 X 32 X 33 X 34 X 35 X
36 X 37 X 38 X 39 X 40 X
41 X 42 X 43 X 44 X 45 X
46 X 47 X 48 ARG 49 X 50 X
51 X 52 HIS 53 X 54 X 55 X
56 X 57 X 58 X 59 X 60 X
61 X 62 X 63 X 64 X 65 X
66 X 67 X 68 X 69 X 70 X
71 X 72 X 73 X 74 X 75 X
76 X 77 X 78 X 79 X 80 X
81 X 82 X 83 X 84 X 85 X
86 X 87 X 88 X 89 X 90 X
91 X 92 X 93 X 94 X 95 X
96 X 97 X 98 X 99 X 100 X
101 X 102 X 103 X 104 X 105 X
106 X 107 X 108 X 109 X 110 X
111 X 112 X 113 X 114 X 115 X
116 X 117 X 118 X 119 X 120 X
121 X 122 X 123 X 124 X 125 X
126 X 127 X 128 X 129 X 130 X
131 X 132 X 133 X 134 X 135 X
136 X 137 X 138 X 139 X 140 X
141 X 142 X 143 X 144 X 145 X
146 X 147 X 148 X 149 X 150 X
151 X 152 X 153 X 154 X 155 X
156 X 157 X 158 X 159 X 160 X
161 X 162 X 163 X 164 X 165 X
166 X 167 X 168 X 169 X 170 X
171 X 172 X 173 X 174 X 175 HIS
176 X 177 X 178 X 179 X 180 THR
181 X 182 X 183 X 184 X 185 X
186 X 187 X 188 X 189 X 190 X
191 X 192 X 193 X 194 X 195 X
196 X 197 X 198 X 199 X 200 X
201 X 202 X 203 X 204 X 205 X
206 X 207 X 208 X 209 X 210 X
211 X 212 X 213 X 214 X 215 X
216 X 217 X 218 X 219 X 220 X
221 X 222 X 223 X 224 X 225 X
226 X 227 X 228 X 229 X 230 X
231 X 232 LEU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$cytochrome_c_peroxidase '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_
#######################
# Sample conditions #
#######################
save_sample_condition_set_one
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6.75 . 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 .
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
H2O/HDO H . . ppm 4.63 . . . . .
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 'cytochrome c peroxidase'
_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 . 52 HIS HD2 H 13.9 . 1
2 . 52 HIS HE1 H 13.9 . 1
3 . 175 HIS H H 12.8 . 1
4 . 175 HIS HA H 8.7 . 1
5 . 175 HIS HB2 H 19.3 . 2
6 . 175 HIS HB3 H 14.7 . 2
7 . 180 THR HG2 H 2.75 . 1
stop_
save_