data_7050
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Solution structure of growth-blocking peptide of the cabbage armyworm, Mamestra brassicae
;
_BMRB_accession_number 7050
_BMRB_flat_file_name bmr7050.str
_Entry_type original
_Submission_date 2006-04-02
_Accession_date 2006-04-03
_Entry_origination author
_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 Umetsu Yoshitaka . .
2 Kamiya Masakatsu . .
3 Aizawa Tomoyasu . .
4 Kumaki Yasuhiro . .
5 Demura Makoto . .
6 Kawano Keiichi . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 130
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2007-04-11 original author .
stop_
_Original_release_date 2007-04-11
save_
#############################
# Citation for this entry #
#############################
save_citation_1
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Solution structure of growth-blocking peptide of the cabbage armyworm, Mamestra brassicae'
_Citation_status published
_Citation_type 'BMRB only'
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Umetsu Yoshitaka . .
2 Kamiya Masakatsu . .
3 Aizawa Tomoyasu . .
4 Kumaki Yasuhiro . .
5 Demura Makoto . .
6 Kawano Keiichi . .
stop_
_Journal_abbreviation .
_Journal_volume .
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first .
_Page_last .
_Year .
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name MbGBP
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
MbGBP $MbGBP
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state 'all disulfide bound'
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_MbGBP
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common MbGBP
_Molecular_mass .
_Mol_thiol_state 'all disulfide bound'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 23
_Mol_residue_sequence
;
ENFAGGCLTGFMRTPDGRCK
PTF
;
loop_
_Residue_seq_code
_Residue_label
1 GLU 2 ASN 3 PHE 4 ALA 5 GLY
6 GLY 7 CYS 8 LEU 9 THR 10 GLY
11 PHE 12 MET 13 ARG 14 THR 15 PRO
16 ASP 17 GLY 18 ARG 19 CYS 20 LYS
21 PRO 22 THR 23 PHE
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-10-25
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 2DJ9 "Solution Structure Of Growth-Blocking Peptide Of The Cabbage Armyworm, Mamestra Brassicae" 100.00 23 100.00 100.00 3.44e-07
DBJ BAA34952 "growth-blocking peptide [Mamestra brassicae]" 100.00 152 100.00 100.00 4.31e-08
DBJ BAD20459 "growth-blocking peptide [Mamestra brassicae]" 100.00 152 100.00 100.00 4.31e-08
DBJ BAD20460 "growth-blocking peptide [Mamestra brassicae]" 100.00 152 100.00 100.00 4.31e-08
DBJ BAD20461 "growth-blocking peptide [Mamestra brassicae]" 100.00 152 100.00 100.00 4.31e-08
DBJ BAJ21212 "precursor of insect cytokine growth blocking peptide [Mamestra brassicae]" 100.00 152 100.00 100.00 4.31e-08
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$MbGBP 'cabbage armyworm' 55057 Eukaryota Metazoa Mamestra brassicae
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
$MbGBP 'recombinant technology' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Saveframe_category sample
_Sample_type solution
_Details .
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
$MbGBP 5 mM .
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 500
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_DQF-COSY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name DQF-COSY
_Sample_label $sample_1
save_
save_NOESY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name NOESY
_Sample_label $sample_1
save_
save_TOCSY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name TOCSY
_Sample_label $sample_1
save_
save_DQF-COSY
_Saveframe_category NMR_applied_experiment
_Experiment_name DQF-COSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_NOESY
_Saveframe_category NMR_applied_experiment
_Experiment_name NOESY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
save_TOCSY
_Saveframe_category NMR_applied_experiment
_Experiment_name TOCSY
_BMRB_pulse_sequence_accession_number .
_Details .
save_
#######################
# Sample conditions #
#######################
save_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 4.4 0.2 pH
temperature 283 1 K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_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
DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0
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_ph44
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $conditions_1
_Chem_shift_reference_set_label $reference_1
_Mol_system_component_name MbGBP
_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 2 ASN H H 8.938 0.002 1
2 2 2 ASN HA H 4.751 0.006 1
3 2 2 ASN HB2 H 2.705 0.012 1
4 2 2 ASN HB3 H 2.705 0.012 1
5 2 2 ASN HD21 H 7.019 0.001 1
6 2 2 ASN HD22 H 7.683 0 1
7 3 3 PHE H H 8.639 0.004 1
8 3 3 PHE HA H 4.627 0.002 1
9 3 3 PHE HB2 H 3.164 0.006 2
10 3 3 PHE HB3 H 3.006 0.006 2
11 3 3 PHE HD1 H 7.262 0.008 1
12 3 3 PHE HD2 H 7.262 0.008 1
13 3 3 PHE HE1 H 7.337 0.003 1
14 3 3 PHE HE2 H 7.337 0.003 1
15 4 4 ALA H H 8.533 0.002 1
16 4 4 ALA HA H 4.322 0.005 1
17 4 4 ALA HB H 1.374 0.001 1
18 5 5 GLY H H 8.023 0.007 1
19 5 5 GLY HA2 H 3.905 0.007 1
20 5 5 GLY HA3 H 3.905 0.007 1
21 6 6 GLY H H 8.314 0.008 1
22 6 6 GLY HA2 H 3.974 0.009 1
23 6 6 GLY HA3 H 3.974 0.009 1
24 7 7 CYS H H 8.381 0.006 1
25 7 7 CYS HA H 4.776 0.002 1
26 7 7 CYS HB2 H 3.191 0.003 2
27 7 7 CYS HB3 H 2.604 0.009 2
28 8 8 LEU H H 8.731 0.003 1
29 8 8 LEU HA H 4.306 0.004 1
30 8 8 LEU HB2 H 1.619 0.005 1
31 8 8 LEU HB3 H 1.619 0.005 1
32 8 8 LEU HG H 1.471 0.003 1
33 8 8 LEU HD1 H 0.772 0.001 1
34 8 8 LEU HD2 H 0.82 0.003 1
35 9 9 THR H H 8.149 0.001 1
36 9 9 THR HA H 4.083 0.01 1
37 9 9 THR HB H 4.051 0 1
38 9 9 THR HG2 H 1.284 0.004 1
39 10 10 GLY H H 9.044 0.001 1
40 10 10 GLY HA2 H 4.252 0.008 2
41 10 10 GLY HA3 H 3.568 0.006 2
42 11 11 PHE H H 8.442 0.005 1
43 11 11 PHE HA H 5.119 0.004 1
44 11 11 PHE HB2 H 3.428 0.004 2
45 11 11 PHE HB3 H 2.544 0.007 2
46 11 11 PHE HD1 H 6.835 0.002 1
47 11 11 PHE HD2 H 6.835 0.002 1
48 11 11 PHE HE1 H 7.346 0.003 1
49 11 11 PHE HE2 H 7.346 0.003 1
50 12 12 MET H H 9.455 0.006 1
51 12 12 MET HA H 4.791 0.004 1
52 12 12 MET HB2 H 1.977 0.028 1
53 12 12 MET HB3 H 1.977 0.028 1
54 12 12 MET HG2 H 2.431 0.02 1
55 12 12 MET HG3 H 2.431 0.02 1
56 13 13 ARG H H 8.642 0.003 1
57 13 13 ARG HA H 5.093 0.007 1
58 13 13 ARG HB2 H 1.622 0.004 1
59 13 13 ARG HB3 H 1.622 0.004 1
60 13 13 ARG HG2 H 1.818 0.002 1
61 13 13 ARG HG3 H 1.818 0.002 1
62 13 13 ARG HD2 H 3.067 0.005 1
63 13 13 ARG HD3 H 3.067 0.005 1
64 13 13 ARG HE H 7.138 0.005 1
65 13 13 ARG HH11 H 6.48 0.011 1
66 13 13 ARG HH12 H 6.48 0.011 1
67 13 13 ARG HH21 H 6.732 0.016 1
68 13 13 ARG HH22 H 6.732 0.016 1
69 14 14 THR H H 9.106 0.004 1
70 14 14 THR HA H 4.763 0.006 1
71 14 14 THR HG2 H 1.266 0.002 1
72 15 15 PRO HA H 4.367 0.003 1
73 15 15 PRO HB2 H 2.008 0.009 2
74 15 15 PRO HB3 H 2.456 0.004 2
75 15 15 PRO HG2 H 2.163 0.001 1
76 15 15 PRO HG3 H 2.163 0.001 1
77 15 15 PRO HD2 H 3.934 0.011 2
78 15 15 PRO HD3 H 3.846 0.01 2
79 16 16 ASP H H 8.004 0.002 1
80 16 16 ASP HA H 4.604 0.006 1
81 16 16 ASP HB2 H 2.653 0.002 2
82 16 16 ASP HB3 H 2.973 0.004 2
83 17 17 GLY H H 8.376 0.003 1
84 17 17 GLY HA2 H 4.227 0.008 2
85 17 17 GLY HA3 H 3.588 0.007 2
86 18 18 ARG H H 7.673 0.001 1
87 18 18 ARG HA H 4.469 0.002 1
88 18 18 ARG HB2 H 1.829 0.003 1
89 18 18 ARG HB3 H 1.829 0.003 1
90 18 18 ARG HG2 H 1.52 0.008 1
91 18 18 ARG HG3 H 1.52 0.008 1
92 18 18 ARG HD2 H 3.166 0.007 1
93 18 18 ARG HD3 H 3.166 0.007 1
94 18 18 ARG HE H 7.517 0.002 1
95 18 18 ARG HH11 H 6.6 0.008 1
96 18 18 ARG HH12 H 6.6 0.008 1
97 18 18 ARG HH21 H 6.912 0.017 1
98 18 18 ARG HH22 H 6.912 0.017 1
99 19 19 CYS H H 8.633 0.003 1
100 19 19 CYS HA H 5.403 0.005 1
101 19 19 CYS HB2 H 2.783 0.01 1
102 19 19 CYS HB3 H 2.783 0.01 1
103 20 20 LYS H H 9.489 0.005 1
104 20 20 LYS HA H 5.127 0.005 1
105 20 20 LYS HB2 H 1.817 0.008 1
106 20 20 LYS HB3 H 1.817 0.008 1
107 20 20 LYS HG2 H 1.452 0.005 1
108 20 20 LYS HG3 H 1.452 0.005 1
109 20 20 LYS HD2 H 1.703 0.021 1
110 20 20 LYS HD3 H 1.703 0.021 1
111 20 20 LYS HE2 H 2.983 0.012 1
112 20 20 LYS HE3 H 2.983 0.012 1
113 20 20 LYS HZ H 7.678 0.002 1
114 21 21 PRO HA H 3.977 0.008 1
115 21 21 PRO HB2 H 1.569 0.008 2
116 21 21 PRO HB3 H 1.729 0.004 2
117 21 21 PRO HG2 H 1.856 0.009 2
118 21 21 PRO HG3 H 2.022 0.006 2
119 21 21 PRO HD2 H 3.728 0.003 2
120 21 21 PRO HD3 H 3.922 0.009 2
121 22 22 THR H H 8.001 0.001 1
122 22 22 THR HA H 4.051 0.016 1
123 22 22 THR HB H 4.027 0 1
124 22 22 THR HG2 H 0.98 0 1
125 23 23 PHE H H 7.474 0.005 1
126 23 23 PHE HA H 4.43 0.003 1
127 23 23 PHE HB2 H 3.065 0.002 2
128 23 23 PHE HB3 H 2.987 0.013 2
129 23 23 PHE HD1 H 7.201 0.003 1
130 23 23 PHE HD2 H 7.201 0.003 1
stop_
save_