data_17584
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H 13C 15N resonance assignment of CD4+ T cell-derived peptide Thp5
;
_BMRB_accession_number 17584
_BMRB_flat_file_name bmr17584.str
_Entry_type original
_Submission_date 2011-04-11
_Accession_date 2011-04-11
_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 PANDEY NISHANT K. .
2 BHAVESH NEEL S. .
3 DAS GOBARDHAN . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 89
"13C chemical shifts" 58
"15N chemical shifts" 19
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2012-03-08 update BMRB 'update entry citation'
2011-12-02 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'CD4+ T Cell-derived Novel Peptide Thp5 Induces Interleukin-4 Production in CD4+ T Cells to Direct T Helper 2 Cell Differentiation.'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 22130674
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Khan 'Mohd Moin' . .
2 Chatterjee Samit . .
3 Dwivedi 'Ved Prakash' . .
4 Pandey 'Nishant Kumar' . .
5 Singh Yogesh . .
6 Tousif Sultan . .
7 Bhavesh 'Neel Sarovar' . .
8 'Van Kaer' Luc . .
9 Das Jyoti . .
10 Das Gobardhan . .
stop_
_Journal_abbreviation 'J. Biol. Chem.'
_Journal_name_full 'The Journal of biological chemistry'
_Journal_volume 287
_Journal_issue 4
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 2830
_Page_last 2835
_Year 2012
_Details .
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name Thp5
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
Thp5 $Thp5
stop_
_System_molecular_weight .
_System_physical_state native
_System_oligomer_state ?
_System_paramagnetic no
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_Thp5
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common Thp5
_Molecular_mass .
_Mol_thiol_state 'not present'
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 22
_Mol_residue_sequence
;
WRPYLQTEYYDVMTVISPPE
FG
;
loop_
_Residue_seq_code
_Residue_label
1 TRP 2 ARG 3 PRO 4 TYR 5 LEU
6 GLN 7 THR 8 GLU 9 TYR 10 TYR
11 ASP 12 VAL 13 MET 14 THR 15 VAL
16 ILE 17 SER 18 PRO 19 PRO 20 GLU
21 PHE 22 GLY
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-02-26
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 2LMA "Solution Structure Of Cd4+ T Cell Derived Peptide Thp5" 100.00 22 100.00 100.00 1.51e-06
REF NP_081603 "T helper cell-induced peptide 5 [Mus musculus]" 100.00 43 100.00 100.00 4.61e-07
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$Thp5 'house mouse' 10090 Eukaryota Metazoa Mus musculus
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
$Thp5 'chemical synthesis' . . . . .
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
$Thp5 800 uM 'natural abundance'
'sodium chloride' 150 mM 'natural abundance'
'sodium phosphate' 50 mM 'natural abundance'
D2O 5 % '[U-100% 2H]'
H2O 95 % 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_CARA
_Saveframe_category software
_Name CARA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Keller and Wuthrich' . .
stop_
loop_
_Task
'chemical shift assignment'
'peak picking'
'data analysis'
stop_
_Details .
save_
save_TOPSPIN
_Saveframe_category software
_Name TOPSPIN
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Bruker Biospin' . .
stop_
loop_
_Task
collection
stop_
_Details .
save_
save_CYANA
_Saveframe_category software
_Name CYANA
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Guntert, Mumenthaler and Wuthrich' . .
stop_
loop_
_Task
'structure solution'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 500
_Details .
save_
save_spectrometer_2
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model Avance
_Field_strength 700
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-15N_HSQC_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_2D_1H-13C_HSQC_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_1
save_
save_2D_1H-15N_HSQC_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-15N HSQC'
_Sample_label $sample_1
save_
save_2D_1H-1H_NOESY_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_1
save_
save_2D_1H-1H_NOESY_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_1
save_
save_2D_1H-1H_TOCSY_7
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label $sample_1
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
temperature 298 . K
pH 6.8 . pH
pressure 1 . atm
'ionic strength' 150 . mM
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_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 0.00 internal direct . . . 1.000000000
DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530
DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118
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_assigned_chem_shift_list_1
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Experiment_label
'2D 1H-15N HSQC'
'2D 1H-13C HSQC'
'2D 1H-1H NOESY'
'2D 1H-1H TOCSY'
stop_
loop_
_Sample_label
$sample_1
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name Thp5
_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 1 1 TRP HB3 H 3.26 0.02 1
2 1 1 TRP HD1 H 7.28 0.02 1
3 1 1 TRP HE1 H 10.16 0.02 1
4 1 1 TRP HE3 H 7.47 0.02 1
5 1 1 TRP HZ2 H 7.45 0.02 1
6 1 1 TRP HZ3 H 7.07 0.02 1
7 1 1 TRP HH2 H 7.19 0.02 1
8 1 1 TRP CB C 30.0 0.3 1
9 1 1 TRP CD1 C 130.0 0.3 1
10 1 1 TRP CE3 C 121.6 0.3 1
11 1 1 TRP CZ2 C 114.7 0.3 1
12 1 1 TRP CZ3 C 122.0 0.3 1
13 1 1 TRP CH2 C 124.6 0.3 1
14 1 1 TRP NE1 N 130.5 0.3 1
15 2 2 ARG H H 8.30 0.02 1
16 2 2 ARG HA H 4.60 0.02 1
17 2 2 ARG HD2 H 3.05 0.02 1
18 2 2 ARG CA C 57.7 0.3 1
19 2 2 ARG CD C 43.4 0.3 1
20 2 2 ARG N N 121.6 0.3 1
21 4 4 TYR H H 8.31 0.02 1
22 4 4 TYR HA H 4.80 0.02 1
23 4 4 TYR HB2 H 3.78 0.02 2
24 4 4 TYR HB3 H 3.83 0.02 2
25 4 4 TYR N N 115.5 0.3 1
26 5 5 LEU H H 8.04 0.02 1
27 5 5 LEU HA H 4.16 0.02 1
28 5 5 LEU HB2 H 1.49 0.02 1
29 5 5 LEU HG H 1.40 0.02 1
30 5 5 LEU HD1 H 0.84 0.02 1
31 5 5 LEU HD2 H 0.79 0.02 1
32 5 5 LEU CA C 56.8 0.3 1
33 5 5 LEU CB C 42.6 0.3 1
34 5 5 LEU CG C 26.6 0.3 1
35 5 5 LEU CD1 C 24.6 0.3 1
36 5 5 LEU CD2 C 23.5 0.3 1
37 5 5 LEU N N 124.2 0.3 1
38 6 6 GLN H H 8.58 0.02 1
39 6 6 GLN HA H 4.13 0.02 1
40 6 6 GLN HB3 H 1.85 0.02 1
41 6 6 GLN HG2 H 2.13 0.02 2
42 6 6 GLN HG3 H 2.02 0.02 2
43 6 6 GLN CA C 56.7 0.3 1
44 6 6 GLN CB C 27.0 0.3 1
45 6 6 GLN CG C 32.5 0.3 1
46 6 6 GLN N N 120.8 0.3 1
47 7 7 THR H H 8.03 0.02 1
48 7 7 THR HA H 4.44 0.02 1
49 7 7 THR HB H 4.22 0.02 1
50 7 7 THR HG2 H 1.12 0.02 1
51 7 7 THR CA C 57.6 0.3 1
52 7 7 THR CG2 C 21.6 0.3 1
53 7 7 THR N N 114.7 0.3 1
54 8 8 GLU H H 8.32 0.02 1
55 8 8 GLU HA H 4.21 0.02 1
56 8 8 GLU HB2 H 1.84 0.02 1
57 8 8 GLU HG2 H 2.09 0.02 1
58 8 8 GLU CB C 30.2 0.3 1
59 8 8 GLU CG C 36.0 0.3 1
60 8 8 GLU N N 122.6 0.3 1
61 9 9 TYR H H 8.09 0.02 1
62 9 9 TYR HA H 4.43 0.02 1
63 9 9 TYR HB2 H 2.90 0.02 2
64 9 9 TYR HB3 H 2.84 0.02 2
65 9 9 TYR HD1 H 6.98 0.02 1
66 9 9 TYR HE1 H 6.76 0.02 1
67 9 9 TYR CA C 57.6 0.3 1
68 9 9 TYR CB C 39.1 0.3 1
69 9 9 TYR CD2 C 133.2 0.3 1
70 9 9 TYR CE1 C 118.3 0.3 1
71 9 9 TYR N N 120.7 0.3 1
72 10 10 TYR H H 7.85 0.02 1
73 10 10 TYR HA H 4.45 0.02 1
74 10 10 TYR HB2 H 2.84 0.02 2
75 10 10 TYR HB3 H 2.97 0.02 2
76 10 10 TYR HD1 H 7.04 0.02 1
77 10 10 TYR HE1 H 6.78 0.02 1
78 10 10 TYR CA C 57.6 0.3 1
79 10 10 TYR CB C 39.1 0.3 1
80 10 10 TYR CD2 C 133.4 0.3 1
81 10 10 TYR CE1 C 118.2 0.3 1
82 10 10 TYR N N 121.8 0.3 1
83 11 11 ASP H H 8.19 0.02 1
84 11 11 ASP HA H 4.53 0.02 1
85 11 11 ASP HB2 H 2.66 0.02 2
86 11 11 ASP HB3 H 2.55 0.02 2
87 11 11 ASP CA C 54.0 0.3 1
88 11 11 ASP CB C 41.4 0.3 1
89 11 11 ASP N N 122.2 0.3 1
90 12 12 VAL H H 7.99 0.02 1
91 12 12 VAL HA H 4.04 0.02 1
92 12 12 VAL HB H 2.10 0.02 1
93 12 12 VAL HG2 H 0.91 0.02 1
94 12 12 VAL CA C 62.5 0.3 1
95 12 12 VAL CB C 32.4 0.3 1
96 12 12 VAL CG2 C 20.6 0.3 1
97 12 12 VAL N N 120.2 0.3 1
98 13 13 MET H H 8.38 0.02 1
99 13 13 MET HA H 4.48 0.02 1
100 13 13 MET HB2 H 2.48 0.02 1
101 13 13 MET HG3 H 2.58 0.02 1
102 13 13 MET HE H 2.04 0.02 1
103 13 13 MET CA C 55.5 0.3 1
104 13 13 MET CB C 32.2 0.3 1
105 13 13 MET CG C 32.2 0.3 1
106 13 13 MET CE C 16.7 0.3 1
107 13 13 MET N N 122.5 0.3 1
108 14 14 THR H H 8.06 0.02 1
109 14 14 THR HA H 4.26 0.02 1
110 14 14 THR HB H 4.11 0.02 1
111 14 14 THR HG2 H 1.15 0.02 1
112 14 14 THR CA C 62.2 0.3 1
113 14 14 THR CB C 69.6 0.3 1
114 14 14 THR CG2 C 21.6 0.3 1
115 14 14 THR N N 116.3 0.3 1
116 15 15 VAL H H 8.13 0.02 1
117 15 15 VAL HA H 4.09 0.02 1
118 15 15 VAL HB H 2.02 0.02 1
119 15 15 VAL HG1 H 0.87 0.02 1
120 15 15 VAL HG2 H 0.90 0.02 1
121 15 15 VAL CA C 62.4 0.3 1
122 15 15 VAL CB C 36.0 0.3 1
123 15 15 VAL CG1 C 21.0 0.3 1
124 15 15 VAL CG2 C 20.6 0.3 1
125 15 15 VAL N N 123.8 0.3 1
126 16 16 ILE H H 8.28 0.02 1
127 16 16 ILE HA H 4.17 0.02 1
128 16 16 ILE HB H 1.90 0.02 1
129 16 16 ILE HG12 H 1.43 0.02 2
130 16 16 ILE HG13 H 1.16 0.02 2
131 16 16 ILE HG2 H 0.86 0.02 1
132 16 16 ILE HD1 H 0.80 0.02 1
133 16 16 ILE CA C 60.7 0.3 1
134 16 16 ILE CB C 38.6 0.3 1
135 16 16 ILE CG1 C 26.8 0.3 1
136 16 16 ILE CG2 C 17.3 0.3 1
137 16 16 ILE CD1 C 12.5 0.3 1
138 16 16 ILE N N 125.7 0.3 1
139 17 17 SER H H 8.42 0.02 1
140 17 17 SER HA H 4.70 0.02 1
141 17 17 SER HB2 H 3.82 0.02 2
142 17 17 SER HB3 H 3.70 0.02 2
143 17 17 SER CA C 56.3 0.3 1
144 17 17 SER CB C 63.2 0.3 1
145 17 17 SER N N 122.3 0.3 1
146 20 20 GLU H H 8.30 0.02 1
147 20 20 GLU HA H 4.28 0.02 1
148 20 20 GLU HB2 H 1.96 0.02 1
149 20 20 GLU HG2 H 2.30 0.02 1
150 20 20 GLU CA C 56.1 0.3 1
151 20 20 GLU CB C 27.4 0.3 1
152 20 20 GLU CG C 33.9 0.3 1
153 20 20 GLU N N 121.0 0.3 1
154 21 21 PHE H H 8.02 0.02 1
155 21 21 PHE HA H 4.21 0.02 1
156 21 21 PHE HB3 H 2.96 0.02 1
157 21 21 PHE HD1 H 7.03 0.02 1
158 21 21 PHE CA C 56.5 0.3 1
159 21 21 PHE CB C 38.7 0.3 1
160 21 21 PHE CD2 C 133.2 0.3 1
161 21 21 PHE N N 119.9 0.3 1
162 22 22 GLY H H 8.31 0.02 1
163 22 22 GLY HA2 H 3.85 0.02 2
164 22 22 GLY HA3 H 3.77 0.02 2
165 22 22 GLY CA C 44.8 0.3 1
166 22 22 GLY N N 112.1 0.3 1
stop_
save_