data_2074
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Determination of the orientations of tryptophan analogues bound to the trp
repressor and the relationship to activation
;
_BMRB_accession_number 2074
_BMRB_flat_file_name bmr2074.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 Borden Katherine L.B. .
2 Beckmann Pamela . .
3 Lane Andrew . .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 33
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-06-16 revision BMRB 'Complete natural source information'
1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format'
1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format'
1995-07-31 original BMRB 'Last release in original BMRB flat-file format'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full
;
Borden, Katherine L. B., Beckmann, Pamela, Lane, Andrew,
"Determination of the orientations of tryptophan analogues bound to the
trp repressor and the relationship to activation,"
Eur. J. Biochem. 202, 459-470 (1991).
;
_Citation_title
;
Determination of the orientations of tryptophan analogues bound to the trp
repressor and the relationship to activation
;
_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 Borden Katherine L.B. .
2 Beckmann Pamela . .
3 Lane Andrew . .
stop_
_Journal_abbreviation 'Eur. J. Biochem.'
_Journal_volume 202
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 459
_Page_last 470
_Year 1991
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_trp_repressor
_Saveframe_category molecular_system
_Mol_system_name 'trp repressor'
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
'trp repressor' $trp_repressor
stop_
_System_molecular_weight .
_System_oligomer_state ?
_System_paramagnetic ?
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_trp_repressor
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common 'trp repressor'
_Molecular_mass .
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 107
_Mol_residue_sequence
;
AQQSPYSAAMAEQRHQEWLR
FVDLLKNAYENDLHLPLLNL
MLTPDEREALGTRVRIVEEL
LRGEMSQRELKNELGAGIAT
ITRGSNSLKAAPVELRQWLE
EVLLKSD
;
loop_
_Residue_seq_code
_Residue_label
1 ALA 2 GLN 3 GLN 4 SER 5 PRO
6 TYR 7 SER 8 ALA 9 ALA 10 MET
11 ALA 12 GLU 13 GLN 14 ARG 15 HIS
16 GLN 17 GLU 18 TRP 19 LEU 20 ARG
21 PHE 22 VAL 23 ASP 24 LEU 25 LEU
26 LYS 27 ASN 28 ALA 29 TYR 30 GLU
31 ASN 32 ASP 33 LEU 34 HIS 35 LEU
36 PRO 37 LEU 38 LEU 39 ASN 40 LEU
41 MET 42 LEU 43 THR 44 PRO 45 ASP
46 GLU 47 ARG 48 GLU 49 ALA 50 LEU
51 GLY 52 THR 53 ARG 54 VAL 55 ARG
56 ILE 57 VAL 58 GLU 59 GLU 60 LEU
61 LEU 62 ARG 63 GLY 64 GLU 65 MET
66 SER 67 GLN 68 ARG 69 GLU 70 LEU
71 LYS 72 ASN 73 GLU 74 LEU 75 GLY
76 ALA 77 GLY 78 ILE 79 ALA 80 THR
81 ILE 82 THR 83 ARG 84 GLY 85 SER
86 ASN 87 SER 88 LEU 89 LYS 90 ALA
91 ALA 92 PRO 93 VAL 94 GLU 95 LEU
96 ARG 97 GLN 98 TRP 99 LEU 100 GLU
101 GLU 102 VAL 103 LEU 104 LEU 105 LYS
106 SER 107 ASP
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2015-08-05
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 17010 apo-TrpR 100.00 108 99.07 100.00 7.61e-69
BMRB 17012 apo-L75F-TrpR 100.00 108 98.13 99.07 1.72e-68
BMRB 17013 apo-A77V-TrpR 100.00 108 98.13 99.07 2.85e-68
BMRB 17041 TrpR 100.00 113 99.07 100.00 7.31e-69
BMRB 17046 TrpR_L75F 100.00 113 98.13 99.07 1.66e-68
BMRB 17047 TrpR_A77V 100.00 113 98.13 99.07 2.65e-68
BMRB 2040 "trp repressor" 100.00 107 100.00 100.00 3.08e-69
BMRB 2042 "trp repressor" 100.00 107 100.00 100.00 3.08e-69
BMRB 2043 "trp repressor" 100.00 107 100.00 100.00 3.08e-69
BMRB 2173 "trp repressor" 100.00 107 100.00 100.00 3.08e-69
BMRB 2209 "trp repressor" 100.00 107 100.00 100.00 3.08e-69
BMRB 2764 "trp repressor" 100.00 107 100.00 100.00 3.08e-69
BMRB 441 "trp repressor" 100.00 107 99.07 100.00 7.46e-69
BMRB 442 "trp repressor" 100.00 107 99.07 100.00 7.46e-69
PDB 1CO0 "Nmr Study Of Trp Repressor-Mtr Operator Dna Complex" 100.00 107 99.07 100.00 7.46e-69
PDB 1JHG "Trp Repressor Mutant V58i" 94.39 101 98.02 100.00 2.13e-63
PDB 1MI7 "Crystal Structure Of Domain Swapped Trp Aporepressor In 30%(VV) Isopropanol" 100.00 107 99.07 100.00 7.46e-69
PDB 1RCS "Nmr Study Of Trp Repressor-Operator Dna Complex" 98.13 105 99.05 100.00 2.35e-67
PDB 1TRO "Crystal Structure Of Trp Repressor Operator Complex At Atomic Resolution" 100.00 108 98.13 100.00 3.25e-68
PDB 1TRR "Tandem Binding In Crystals Of A Trp RepressorOPERATOR HALF- Site Complex" 100.00 107 98.13 100.00 3.51e-68
PDB 1WRP "Flexibility Of The Dna-binding Domains Of Trp Repressor" 100.00 107 99.07 100.00 7.46e-69
PDB 1WRS "Nmr Study Of Holo Trp Repressor" 98.13 105 99.05 100.00 2.35e-67
PDB 1WRT "Nmr Study Of Apo Trp Repressor" 98.13 105 99.05 100.00 2.35e-67
PDB 1ZT9 "E. Coli Trp Repressor, Tetragonal Crystal Form" 100.00 107 99.07 100.00 7.46e-69
PDB 2OZ9 "E. Coli Trp Holorepressor, Orthorhombic Crystal Form" 100.00 107 99.07 100.00 7.46e-69
PDB 2XDI "Tryptophan Repressor With L75f Mutation In Its Apo Form (no L-tryptophan Bound)" 100.00 107 98.13 99.07 1.67e-68
PDB 3SSW "E. Coli Trp Aporepressor" 100.00 107 99.07 100.00 7.46e-69
PDB 3SSX "E. Coli Trp Aporeporessor L75f Mutant" 100.00 107 98.13 99.07 1.67e-68
PDB 3WRP "Flexibility Of The Dna-Binding Domains Of Trp Repressor" 100.00 108 99.07 100.00 7.61e-69
DBJ BAB38774 "regulator for trp operon and aroH [Escherichia coli O157:H7 str. Sakai]" 100.00 108 99.07 100.00 7.61e-69
DBJ BAE78382 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli str. K12 substr. W3110]" 100.00 108 99.07 100.00 7.61e-69
DBJ BAG80193 "tryptophan operon repressor [Escherichia coli SE11]" 100.00 108 99.07 100.00 7.61e-69
DBJ BAI28718 "DNA-binding transcriptional repressor TrpR, tryptophan-binding [Escherichia coli O26:H11 str. 11368]" 100.00 108 99.07 100.00 7.61e-69
DBJ BAI33927 "DNA-binding transcriptional repressor TrpR, tryptophan-binding [Escherichia coli O103:H2 str. 12009]" 100.00 108 99.07 100.00 7.61e-69
EMBL CAP78881 "Trp operon repressor [Escherichia coli LF82]" 100.00 108 98.13 100.00 2.37e-68
EMBL CAQ34751 "TrpR transcriptional repressor [Escherichia coli BL21(DE3)]" 100.00 108 99.07 100.00 7.61e-69
EMBL CAQ91905 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia fergusonii ATCC 35469]" 98.13 108 99.05 100.00 4.12e-67
EMBL CAR01357 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli IAI1]" 100.00 108 99.07 100.00 7.61e-69
EMBL CAR06215 "DNA-binding transcriptional repressor, tryptophan-binding [Escherichia coli S88]" 100.00 108 98.13 100.00 2.37e-68
GB AAA72140 "trp operon repressor protein (trpR) [Escherichia coli]" 100.00 108 99.07 100.00 7.61e-69
GB AAA97289 "CG Site No. 68; alternate gene name Rtry [Escherichia coli str. K-12 substr. MG1655]" 100.00 108 99.07 100.00 7.61e-69
GB AAC77346 "transcriptional repressor, tryptophan-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 108 99.07 100.00 7.61e-69
GB AAG59573 "regulator for trp operon and aroH; trp aporepressor [Escherichia coli O157:H7 str. EDL933]" 100.00 108 99.07 100.00 7.61e-69
GB AAN45839 "regulator for trp operon and aroH; trp aporepressor [Shigella flexneri 2a str. 301]" 100.00 108 99.07 100.00 7.61e-69
REF NP_313378 "Trp operon repressor [Escherichia coli O157:H7 str. Sakai]" 100.00 108 99.07 100.00 7.61e-69
REF NP_418810 "transcriptional repressor, tryptophan-binding [Escherichia coli str. K-12 substr. MG1655]" 100.00 108 99.07 100.00 7.61e-69
REF NP_710132 "Trp operon repressor [Shigella flexneri 2a str. 301]" 100.00 108 99.07 100.00 7.61e-69
REF WP_000068670 "MULTISPECIES: Trp operon repressor [Escherichia]" 100.00 108 100.00 100.00 2.85e-69
REF WP_000068671 "MULTISPECIES: Trp operon repressor [Escherichia]" 100.00 108 99.07 99.07 3.18e-68
SP A1AJW2 "RecName: Full=Trp operon repressor" 100.00 108 98.13 100.00 2.37e-68
SP A7ZVT5 "RecName: Full=Trp operon repressor" 100.00 108 99.07 100.00 7.61e-69
SP A8A8C2 "RecName: Full=Trp operon repressor" 100.00 108 99.07 100.00 7.61e-69
SP B1IS26 "RecName: Full=Trp operon repressor" 100.00 108 99.07 100.00 7.61e-69
SP B1LEK0 "RecName: Full=Trp operon repressor" 98.13 108 98.10 100.00 1.17e-66
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$trp_repressor 'E. coli' 562 Eubacteria . Escherichia coli
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
$trp_repressor '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_
#############################
# NMR applied experiments #
#############################
save__1
_Saveframe_category NMR_applied_experiment
_Sample_label $sample_one
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 7.5 . na
temperature 313 . 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
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
DSS H . . ppm 0 . . . . . $entry_citation $entry_citation
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 'trp repressor'
_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 . 6 TYR HD1 H 7.13 . 1
2 . 6 TYR HD2 H 7.13 . 1
3 . 6 TYR HE1 H 6.86 . 1
4 . 6 TYR HE2 H 6.86 . 1
5 . 15 HIS HD2 H 7.06 . 1
6 . 15 HIS HE1 H 7.86 . 1
7 . 18 TRP HE3 H 7.79 . 1
8 . 18 TRP HZ2 H 7.36 . 1
9 . 18 TRP HZ3 H 6.9 . 1
10 . 18 TRP HH2 H 7.03 . 1
11 . 21 PHE HD1 H 6.94 . 1
12 . 21 PHE HD2 H 6.94 . 1
13 . 21 PHE HE1 H 7.11 . 1
14 . 21 PHE HE2 H 7.11 . 1
15 . 29 TYR HD1 H 6.42 . 1
16 . 29 TYR HD2 H 6.42 . 1
17 . 29 TYR HE1 H 6.31 . 1
18 . 29 TYR HE2 H 6.31 . 1
19 . 34 HIS HE1 H 8.04 . 1
20 . 50 LEU HD1 H .43 . 2
21 . 50 LEU HD2 H .67 . 2
22 . 56 ILE HG12 H 1.59 . 1
23 . 56 ILE HG13 H 1.59 . 1
24 . 56 ILE HD1 H .93 . 1
25 . 80 THR HA H 4.16 . 1
26 . 80 THR HG2 H 1.59 . 1
27 . 98 TRP HD1 H 7.25 . 1
28 . 98 TRP HE3 H 7.43 . 1
29 . 98 TRP HZ2 H 7.03 . 1
30 . 98 TRP HZ3 H 6.69 . 1
31 . 98 TRP HH2 H 7.15 . 1
32 . 102 VAL HG1 H .32 . 2
33 . 102 VAL HG2 H .08 . 2
stop_
save_