data_15973
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
HGF-binding peptide-10
;
_BMRB_accession_number 15973
_BMRB_flat_file_name bmr15973.str
_Entry_type new
_Submission_date 2008-10-05
_Accession_date 2008-10-05
_Entry_origination author
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details 'HGF-binding peptide obtained from phage display library'
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Skelton Nicholas J. .
2 Runyon Steven T. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 88
"13C chemical shifts" 56
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-05-27 update BMRB 'update entity/assembly name'
2009-03-04 update BMRB 'complete entry citation'
2008-11-11 original author 'original release'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full .
_Citation_title 'Noncompetitive inhibition of Hepatocyte Growth Factor Dependent Met signaling by a phage-derived peptide'
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID 18973760
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Tam Eric M. .
2 Runyon Steven T. .
3 Santell Lydia . .
4 Quan CLiff . .
5 Yao Xiaoyi . .
6 Kirchhofer Daniel . .
7 Skelton Nicholas J. .
8 Lazarus Robert A. .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 385
_Journal_issue 1
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 79
_Page_last 90
_Year 2009
_Details .
loop_
_Keyword
'HGF-binding agtagonist'
Met
'Phage display'
'Receptor tyrosine kinase'
cancer
stop_
save_
##################################
# Molecular system description #
##################################
save_assembly
_Saveframe_category molecular_system
_Mol_system_name 'HGF-binding peptide-10'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'HGF-binding peptide-10' $entity
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_entity
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'HGF-binding peptide-10'
_Molecular_mass 1812.109
_Mol_thiol_state 'all disulfide bound'
loop_
_Biological_function
'protein binding'
stop_
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 15
_Mol_residue_sequence VNWVCFRDVGCDWVL
loop_
_Residue_seq_code
_Residue_label
1 VAL 2 ASN 3 TRP 4 VAL 5 CYS
6 PHE 7 ARG 8 ASP 9 VAL 10 GLY
11 CYS 12 ASP 13 TRP 14 VAL 15 LEU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date .
save_
########################################
# Molecular bond linkage definitions #
########################################
save_crosslink_bonds
_Saveframe_category crosslink_bonds
loop_
_Bond_order
_Bond_type
_Atom_one_mol_system_component_name
_Atom_one_residue_seq_code
_Atom_one_residue_label
_Atom_one_atom_name
_Atom_two_mol_system_component_name
_Atom_two_residue_seq_code
_Atom_two_residue_label
_Atom_two_atom_name
single disulfide 'HGF-binding peptide-10' 5 CYS SG 'HGF-binding peptide-10' 11 CYS SG
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
_Details
$entity . . . . . . 'Peptide sequence obtained from synthetic library'
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
$entity '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
'sodium chloride' 25 mM 'natural abundance'
D2O 5500 mM '[U-99% 2H]'
'sodium azide' 1 mM 'natural abundance'
'1-4 dioxane' 1 mM 'natural abundance'
$entity . mM 'natural abundance'
stop_
save_
save_sample_2
_Saveframe_category sample
_Sample_type solution
_Details 'D2O sample'
loop_
_Mol_label
_Concentration_value
_Concentration_value_units
_Isotopic_labeling
'sodium chloride' 25 mM 'natural abundance'
D2O 55000 mM '[U-99% 2H]'
'sodium azide' 1 mM 'natural abundance'
$entity . mM 'natural abundance'
stop_
save_
############################
# Computer software used #
############################
save_SPARKY
_Saveframe_category software
_Name SPARKY
_Version .
loop_
_Vendor
_Address
_Electronic_address
Goddard . .
stop_
loop_
_Task
'chemical shift assignment'
stop_
_Details .
save_
save_CNS
_Saveframe_category software
_Name CNS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Brunger, Adams, Clore, Gros, Nilges and Read' . .
stop_
loop_
_Task
refinement
stop_
_Details .
save_
save_TALOS
_Saveframe_category software
_Name TALOS
_Version .
loop_
_Vendor
_Address
_Electronic_address
'Cornilescu, Delaglio and Bax' . .
stop_
loop_
_Task
'data analysis'
stop_
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_Saveframe_category NMR_spectrometer
_Manufacturer Bruker
_Model DRX
_Field_strength 600
_Details .
save_
#############################
# NMR applied experiments #
#############################
save_2D_1H-1H_NOESY_1
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_1
save_
save_2D_DQF-COSY_2
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D DQF-COSY'
_Sample_label $sample_1
save_
save_2D_1H-1H_TOCSY_3
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H TOCSY'
_Sample_label $sample_1
save_
save_2D_1H-1H_NOESY_4
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H NOESY'
_Sample_label $sample_2
save_
save_2D_1H-1H_COSY-35_5
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-1H COSY-35'
_Sample_label $sample_2
save_
save_2D_1H-13C_HSQC_6
_Saveframe_category NMR_applied_experiment
_Experiment_name '2D 1H-13C HSQC'
_Sample_label $sample_2
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 6.4 . pH
pressure 1 . atm
'ionic strength' 0.1 . M
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
dioxane H 1 'methylene protons' ppm 3.75 internal direct . . . 1
dioxane C 13 'methylene protons' ppm 75.0 internal direct . . . 1
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_
_Software_label
$SPARKY
stop_
loop_
_Experiment_label
'2D DQF-COSY'
'2D 1H-1H TOCSY'
'2D 1H-13C HSQC'
stop_
loop_
_Sample_label
$sample_1
$sample_2
stop_
_Sample_conditions_label $sample_conditions_1
_Chem_shift_reference_set_label $chemical_shift_reference_1
_Mol_system_component_name 'HGF-binding peptide-10'
_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 VAL HA H 4.000 0.01 1
2 1 1 VAL HB H 2.052 0.01 1
3 1 1 VAL HG1 H 0.790 0.01 .
4 1 1 VAL HG2 H 0.820 0.01 .
5 1 1 VAL CA C 58.192 0.2 1
6 1 1 VAL CB C 30.850 0.2 1
7 1 1 VAL CG1 C 17.433 0.2 2
8 1 1 VAL CG2 C 18.220 0.2 2
9 2 2 ASN H H 7.137 0.01 1
10 2 2 ASN HA H 5.077 0.01 1
11 2 2 ASN HB2 H 2.583 0.01 .
12 2 2 ASN HB3 H 2.583 0.01 .
13 2 2 ASN HD21 H 7.541 0.01 2
14 2 2 ASN HD22 H 6.845 0.01 2
15 2 2 ASN CA C 50.039 0.2 1
16 2 2 ASN CB C 38.600 0.2 1
17 3 3 TRP H H 8.538 0.01 1
18 3 3 TRP HA H 4.523 0.01 1
19 3 3 TRP HB2 H 2.320 0.01 .
20 3 3 TRP HB3 H 2.875 0.01 2
21 3 3 TRP HD1 H 6.765 0.01 1
22 3 3 TRP HE1 H 9.754 0.01 1
23 3 3 TRP HE3 H 5.769 0.01 1
24 3 3 TRP HH2 H 6.856 0.01 1
25 3 3 TRP HZ2 H 7.105 0.01 1
26 3 3 TRP HZ3 H 6.380 0.01 1
27 3 3 TRP CA C 53.668 0.2 1
28 3 3 TRP CB C 26.677 0.2 1
29 3 3 TRP CD1 C 124.082 0.2 1
30 3 3 TRP CE3 C 117.629 0.2 1
31 3 3 TRP CH2 C 121.476 0.2 1
32 3 3 TRP CZ2 C 111.621 0.2 1
33 3 3 TRP CZ3 C 118.480 0.2 1
34 4 4 VAL H H 8.162 0.01 1
35 4 4 VAL HA H 3.925 0.01 1
36 4 4 VAL HB H 1.590 0.01 1
37 4 4 VAL HG1 H 0.644 0.01 .
38 4 4 VAL HG2 H 0.439 0.01 .
39 4 4 VAL CA C 58.544 0.2 1
40 4 4 VAL CB C 31.896 0.2 1
41 4 4 VAL CG1 C 18.507 0.2 2
42 4 4 VAL CG2 C 18.655 0.2 2
43 5 5 CYS H H 8.086 0.01 1
44 5 5 CYS HA H 4.588 0.01 1
45 5 5 CYS HB2 H 2.592 0.01 .
46 5 5 CYS HB3 H 2.592 0.01 .
47 5 5 CYS CA C 52.125 0.2 1
48 5 5 CYS CB C 42.385 0.2 1
49 6 6 PHE H H 8.249 0.01 1
50 6 6 PHE HA H 4.605 0.01 1
51 6 6 PHE HB2 H 3.070 0.01 .
52 6 6 PHE HB3 H 2.686 0.01 2
53 6 6 PHE HD1 H 7.090 0.01 .
54 6 6 PHE HD2 H 7.090 0.01 .
55 6 6 PHE HE1 H 6.860 0.01 .
56 6 6 PHE HE2 H 6.860 0.01 .
57 6 6 PHE HZ H 6.380 0.01 1
58 6 6 PHE CA C 53.930 0.2 1
59 6 6 PHE CB C 38.201 0.2 1
60 6 6 PHE CD1 C 129.144 0.2 .
61 6 6 PHE CD2 C 129.144 0.2 .
62 6 6 PHE CE1 C 128.605 0.2 .
63 6 6 PHE CE2 C 128.605 0.2 .
64 6 6 PHE CZ C 127.143 0.2 1
65 7 7 ARG H H 7.090 0.01 1
66 7 7 ARG HA H 3.869 0.01 1
67 7 7 ARG HB2 H 1.650 0.01 .
68 7 7 ARG HB3 H 1.650 0.01 .
69 7 7 ARG HD2 H 3.030 0.01 .
70 7 7 ARG HD3 H 3.030 0.01 .
71 7 7 ARG HG2 H 1.403 0.01 .
72 7 7 ARG HG3 H 1.403 0.01 .
73 7 7 ARG CA C 55.083 0.2 1
74 7 7 ARG CB C 27.344 0.2 1
75 7 7 ARG CD C 40.500 0.2 1
76 7 7 ARG CG C 24.105 0.2 1
77 8 8 ASP H H 8.615 0.01 1
78 8 8 ASP HA H 4.310 0.01 1
79 8 8 ASP HB2 H 2.690 0.01 .
80 8 8 ASP HB3 H 2.760 0.01 2
81 8 8 ASP CA C 53.550 0.2 1
82 8 8 ASP CB C 37.401 0.2 1
83 9 9 VAL H H 7.801 0.01 1
84 9 9 VAL HA H 4.119 0.01 1
85 9 9 VAL HB H 2.050 0.01 1
86 9 9 VAL HG1 H 0.790 0.01 .
87 9 9 VAL HG2 H 0.784 0.01 .
88 9 9 VAL CA C 59.984 0.2 1
89 9 9 VAL CB C 30.350 0.2 1
90 9 9 VAL CG1 C 16.973 0.2 2
91 9 9 VAL CG2 C 17.950 0.2 2
92 10 10 GLY H H 7.875 0.01 1
93 10 10 GLY HA2 H 4.196 0.01 .
94 10 10 GLY HA3 H 3.702 0.01 2
95 10 10 GLY CA C 41.802 0.2 1
96 11 11 CYS H H 8.204 0.01 1
97 11 11 CYS HA H 4.948 0.01 1
98 11 11 CYS HB2 H 1.565 0.01 .
99 11 11 CYS HB3 H 2.540 0.01 2
100 11 11 CYS CA C 52.573 0.2 1
101 12 12 ASP H H 8.049 0.01 1
102 12 12 ASP HA H 4.180 0.01 1
103 12 12 ASP HB2 H 2.365 0.01 .
104 12 12 ASP HB3 H 2.365 0.01 .
105 12 12 ASP CA C 50.343 0.2 1
106 12 12 ASP CB C 40.437 0.2 1
107 13 13 TRP H H 8.434 0.01 1
108 13 13 TRP HA H 4.980 0.01 1
109 13 13 TRP HB2 H 2.984 0.01 .
110 13 13 TRP HB3 H 2.984 0.01 .
111 13 13 TRP HD1 H 7.301 0.01 1
112 13 13 TRP HE1 H 10.013 0.01 1
113 13 13 TRP HE3 H 7.343 0.01 1
114 13 13 TRP HH2 H 7.002 0.01 1
115 13 13 TRP HZ2 H 7.161 0.01 1
116 13 13 TRP HZ3 H 7.030 0.01 1
117 13 13 TRP CA C 53.564 0.2 1
118 13 13 TRP CB C 27.460 0.2 1
119 13 13 TRP CD1 C 124.884 0.2 1
120 13 13 TRP CE3 C 117.848 0.2 1
121 13 13 TRP CH2 C 121.768 0.2 1
122 13 13 TRP CZ2 C 112.215 0.2 1
123 13 13 TRP CZ3 C 119.419 0.2 1
124 14 14 VAL H H 8.812 0.01 1
125 14 14 VAL HA H 4.235 0.01 1
126 14 14 VAL HB H 1.960 0.01 1
127 14 14 VAL HG1 H 0.840 0.01 .
128 14 14 VAL HG2 H 0.785 0.01 .
129 14 14 VAL CA C 58.677 0.2 1
130 14 14 VAL CB C 31.494 0.2 1
131 14 14 VAL CG1 C 18.260 0.2 2
132 14 14 VAL CG2 C 18.510 0.2 2
133 15 15 LEU H H 8.036 0.01 1
134 15 15 LEU HA H 4.035 0.01 1
135 15 15 LEU HB2 H 1.494 0.01 .
136 15 15 LEU HB3 H 1.494 0.01 .
137 15 15 LEU HD1 H 0.849 0.01 .
138 15 15 LEU HD2 H 0.802 0.01 .
139 15 15 LEU HG H 1.558 0.01 1
140 15 15 LEU CA C 54.752 0.2 1
141 15 15 LEU CB C 40.222 0.2 1
142 15 15 LEU CD1 C 22.337 0.2 2
143 15 15 LEU CD2 C 21.132 0.2 2
144 15 15 LEU CG C 24.800 0.2 1
stop_
save_