data_2852
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
1H-n.m.r. studies of the fibronectin 13kDa collagen-binding fragment Evidence
for autonomous conserved typeI and type II domain folds
;
_BMRB_accession_number 2852
_BMRB_flat_file_name bmr2852.str
_Entry_type update
_Submission_date 1995-07-31
_Accession_date 1996-03-25
_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 Constantine Keith L. .
2 Brew Shelesa A. .
3 Ingham Kenneth C. .
4 Llinas M. . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 105
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'
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
;
Constantine, Keith L., Brew, Shelesa A., Ingham, Kenneth C., Llinas, M.,
"1H-n.m.r. studies of the fibronectin 13kDa collagen-binding fragment
Evidence for autonomous conserved typeI and type II domain folds,"
Biochem. J. 283, 247-254 (1992).
;
_Citation_title
;
1H-n.m.r. studies of the fibronectin 13kDa collagen-binding fragment Evidence
for autonomous conserved typeI and type II domain folds
;
_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 Constantine Keith L. .
2 Brew Shelesa A. .
3 Ingham Kenneth C. .
4 Llinas M. . .
stop_
_Journal_abbreviation 'Biochem. J.'
_Journal_volume 283
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 247
_Page_last 254
_Year 1992
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_fibronectin
_Saveframe_category molecular_system
_Mol_system_name fibronectin
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
fibronectin $fibronectin
stop_
_System_molecular_weight .
_System_oligomer_state ?
_System_paramagnetic ?
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_fibronectin
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common fibronectin
_Name_variant 'gelatin-binding fragment'
_Molecular_mass .
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 117
_Mol_residue_sequence
;
AAVYQPQPHPQPPPYGHCVT
DSGVVYSVGMQWLKTQGNKQ
MLCTCLGNGVSCQETAVTQT
YGGNSNGEPCVLPFTYNGRT
FYSCTTEGRQDGHLWCSTTS
NYEQDQKYSFCTDHTVL
;
loop_
_Residue_seq_code
_Residue_label
1 ALA 2 ALA 3 VAL 4 TYR 5 GLN
6 PRO 7 GLN 8 PRO 9 HIS 10 PRO
11 GLN 12 PRO 13 PRO 14 PRO 15 TYR
16 GLY 17 HIS 18 CYS 19 VAL 20 THR
21 ASP 22 SER 23 GLY 24 VAL 25 VAL
26 TYR 27 SER 28 VAL 29 GLY 30 MET
31 GLN 32 TRP 33 LEU 34 LYS 35 THR
36 GLN 37 GLY 38 ASN 39 LYS 40 GLN
41 MET 42 LEU 43 CYS 44 THR 45 CYS
46 LEU 47 GLY 48 ASN 49 GLY 50 VAL
51 SER 52 CYS 53 GLN 54 GLU 55 THR
56 ALA 57 VAL 58 THR 59 GLN 60 THR
61 TYR 62 GLY 63 GLY 64 ASN 65 SER
66 ASN 67 GLY 68 GLU 69 PRO 70 CYS
71 VAL 72 LEU 73 PRO 74 PHE 75 THR
76 TYR 77 ASN 78 GLY 79 ARG 80 THR
81 PHE 82 TYR 83 SER 84 CYS 85 THR
86 THR 87 GLU 88 GLY 89 ARG 90 GLN
91 ASP 92 GLY 93 HIS 94 LEU 95 TRP
96 CYS 97 SER 98 THR 99 THR 100 SER
101 ASN 102 TYR 103 GLU 104 GLN 105 ASP
106 GLN 107 LYS 108 TYR 109 SER 110 PHE
111 CYS 112 THR 113 ASP 114 HIS 115 THR
116 VAL 117 LEU
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-03-04
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 2853 fibronectin 100.00 117 100.00 100.00 4.53e-80
PDB 1QO6 "Solution Structure Of A Pair Of Modules From The Gelatin-Binding Domain Of Fibronectin" 86.32 101 100.00 100.00 3.37e-67
GB AAV65602 "fibronectin, partial [Sus scrofa]" 62.39 360 97.26 98.63 1.21e-41
REF XP_011356996 "PREDICTED: fibronectin [Pteropus vampyrus]" 97.44 2454 97.37 99.12 8.37e-71
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$fibronectin . . . . . .
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
$fibronectin '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 6.6 . na
temperature 310 . 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
TSP H . . ppm 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_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 fibronectin
_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 . 3 VAL HA H 4.48 . 1
2 . 3 VAL HB H 1.13 . 1
3 . 3 VAL HG1 H .56 . 2
4 . 3 VAL HG2 H .71 . 2
5 . 4 TYR HA H 4.23 . 1
6 . 4 TYR HB2 H 2.59 . 2
7 . 4 TYR HB3 H 3.37 . 2
8 . 4 TYR HD1 H 7.01 . 1
9 . 4 TYR HD2 H 7.01 . 1
10 . 4 TYR HE1 H 6.72 . 1
11 . 4 TYR HE2 H 6.72 . 1
12 . 24 VAL H H 7.11 . 1
13 . 24 VAL HA H 3.69 . 1
14 . 24 VAL HB H 1.58 . 1
15 . 24 VAL HG1 H .28 . 2
16 . 24 VAL HG2 H .7 . 2
17 . 25 VAL HA H 4.55 . 1
18 . 25 VAL HB H 1.73 . 1
19 . 25 VAL HG1 H .69 . 2
20 . 25 VAL HG2 H .81 . 2
21 . 26 TYR HD1 H 6.33 . 1
22 . 26 TYR HD2 H 6.33 . 1
23 . 26 TYR HE1 H 5.99 . 1
24 . 26 TYR HE2 H 5.99 . 1
25 . 32 TRP HB2 H 3.04 . 2
26 . 32 TRP HB3 H 3.19 . 2
27 . 32 TRP HD1 H 6.79 . 1
28 . 32 TRP HE1 H 9.8 . 1
29 . 32 TRP HE3 H 6.34 . 1
30 . 32 TRP HZ2 H 7.09 . 1
31 . 32 TRP HZ3 H 6.22 . 1
32 . 32 TRP HH2 H 6.48 . 1
33 . 50 VAL HA H 4.57 . 1
34 . 50 VAL HB H 2.08 . 1
35 . 50 VAL HG1 H 1.06 . 2
36 . 50 VAL HG2 H 1.25 . 2
37 . 74 PHE HD1 H 6.54 . 1
38 . 74 PHE HD2 H 6.54 . 1
39 . 74 PHE HE1 H 7.37 . 1
40 . 74 PHE HE2 H 7.37 . 1
41 . 74 PHE HZ H 6.19 . 1
42 . 75 THR H H 8.11 . 1
43 . 75 THR HA H 4.53 . 1
44 . 75 THR HB H 3.7 . 1
45 . 75 THR HG2 H .77 . 1
46 . 76 TYR HA H 4.19 . 1
47 . 76 TYR HB2 H 2.15 . 2
48 . 76 TYR HB3 H 2.56 . 2
49 . 76 TYR HD1 H 6.95 . 1
50 . 76 TYR HD2 H 6.95 . 1
51 . 76 TYR HE1 H 7.33 . 1
52 . 76 TYR HE2 H 7.33 . 1
53 . 80 THR H H 8.79 . 1
54 . 80 THR HA H 5.62 . 1
55 . 80 THR HB H 4.12 . 1
56 . 80 THR HG2 H 1.19 . 1
57 . 81 PHE HA H 4.31 . 1
58 . 81 PHE HB2 H 2.65 . 2
59 . 81 PHE HB3 H 3.53 . 2
60 . 81 PHE HD1 H 7.25 . 1
61 . 81 PHE HD2 H 7.25 . 1
62 . 81 PHE HE1 H 7.54 . 1
63 . 81 PHE HE2 H 7.54 . 1
64 . 81 PHE HZ H 6.9 . 1
65 . 82 TYR HB2 H 2.94 . 2
66 . 82 TYR HB3 H 3.1 . 2
67 . 82 TYR HD1 H 6.89 . 1
68 . 82 TYR HD2 H 6.89 . 1
69 . 82 TYR HE1 H 6.67 . 1
70 . 82 TYR HE2 H 6.67 . 1
71 . 85 THR H H 8.55 . 1
72 . 85 THR HA H 4.81 . 1
73 . 85 THR HB H 3.54 . 1
74 . 85 THR HG2 H -.2 . 1
75 . 95 TRP H H 9.63 . 1
76 . 95 TRP HA H 5.86 . 1
77 . 95 TRP HB2 H 3.38 . 2
78 . 95 TRP HB3 H 2.93 . 2
79 . 95 TRP HD1 H 7.33 . 1
80 . 95 TRP HE1 H 9.95 . 1
81 . 95 TRP HE3 H 6.66 . 1
82 . 95 TRP HZ2 H 6.38 . 1
83 . 95 TRP HZ3 H 5.28 . 1
84 . 95 TRP HH2 H 5.63 . 1
85 . 102 TYR HD1 H 7.4 . 1
86 . 102 TYR HD2 H 7.4 . 1
87 . 102 TYR HE1 H 6.4 . 1
88 . 102 TYR HE2 H 6.4 . 1
89 . 108 TYR H H 9.22 . 1
90 . 108 TYR HA H 5.79 . 1
91 . 108 TYR HB2 H 2.87 . 2
92 . 108 TYR HB3 H 3.12 . 2
93 . 108 TYR HD1 H 6.58 . 1
94 . 108 TYR HD2 H 6.58 . 1
95 . 108 TYR HE1 H 6.35 . 1
96 . 108 TYR HE2 H 6.35 . 1
97 . 110 PHE H H 7.96 . 1
98 . 110 PHE HA H 5.7 . 1
99 . 110 PHE HB2 H 2.66 . 2
100 . 110 PHE HB3 H 2.81 . 2
101 . 110 PHE HD1 H 7.2 . 1
102 . 110 PHE HD2 H 7.2 . 1
103 . 110 PHE HE1 H 7.15 . 1
104 . 110 PHE HE2 H 7.15 . 1
105 . 110 PHE HZ H 7.3 . 1
stop_
save_