BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 5358

Title: 1H, 15N, 13C Backbone Chemical Shift Assignments for Trypsin-Bound Bovine Pancreatic Trypsin Inhibitor (BPTI) at pH 5.8 and 36 Degrees

Deposition date: 2001-04-30 Original release date: 2002-05-08

Authors: Biamonti, Clelia; Baran, Michael; Montelione, Gaetano

Citation: Biamonti, Clelia. "Structural and Dynamic Investigations of Macromolecular Recognition Processes by Nuclear Magnetic Resonance Spectroscopy"  Thesis Rutgers University (1996).

Assembly members:
bovine pancreatic trypsin inhibitor, polymer, 58 residues, Formula weight is not available

Natural source:   Common Name: Cow   Taxonomy ID: 9913   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Bos taurus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
bovine pancreatic trypsin inhibitor: RPDFCLEPPYTGPCKARIIR YFYNAKAGLCQTFVYGGCRA KRNNFKSAEDCMRTCGGA

Data sets:
Data typeCount
13C chemical shifts109
15N chemical shifts53
1H chemical shifts93

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1BPTI1

Entities:

Entity 1, BPTI 58 residues - Formula weight is not available

1   ARGPROASPPHECYSLEUGLUPROPROTYR
2   THRGLYPROCYSLYSALAARGILEILEARG
3   TYRPHETYRASNALALYSALAGLYLEUCYS
4   GLNTHRPHEVALTYRGLYGLYCYSARGALA
5   LYSARGASNASNPHELYSSERALAGLUASP
6   CYSMETARGTHRCYSGLYGLYALA

Samples:

Sample_1: bovine pancreatic trypsin inhibitor 0.75 mM; CaCl2 25 mM; NaAzide 3 mM; H2O 90%; D2O 10%

BPTI_cond_1: pH: 5.8; temperature: 309 K

Experiments:

NameSampleSample stateSample conditions
HSQCnot availablenot availablenot available
HNCAnot availablenot availablenot available
(HA)CANHnot availablenot availablenot available
(HA)CA(CO)NHnot availablenot availablenot available
HNCOnot availablenot availablenot available
HCACOnot availablenot availablenot available

Software:

No software information available

NMR spectrometers:

  • VARIAN Unity 500 MHz

Related Database Links:

BMRB 1039 1156 1179 236 237 262 263 264 338 411 412 413 414 415 416 419 45 46 48 485 4868 49 4968 5171 5307 5359
PDB
EMBL CAA27062 CAA27063 CAA28371 CAA28886 CAA37967
GenBank AAA72535 AAB25189 AAD13685
PRF 1405218A 1405218D 1510193A 681071A
SWISS-PROT P00974

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts