BMRB Entry 4873

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4873

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Title:
Partially folded conformation of the (30-51) intermediate in the disulphide folding pathway of bovine pancreatic trypsin inhibitor. 1H and 15N resonance assignments and determination of backbone dynamics from 15N relaxation measurements
Deposition date:
2000-10-23
Original release date:
2000-11-29
Authors:
van Mierlo, Carlo; Darby, Nigel; Keeler, James; Neuhaus, David; Creighton, Thomas
Citation:

Citation: van Mierlo, Carlo; Darby, Nigel; Keeler, James; Neuhaus, David; Creighton, Thomas. "Partially folded conformation of the (30-51) intermediate in the disulphide folding pathway of bovine pancreatic trypsin inhibitor. 1H and 15N resonance assignments and determination of backbone dynamics from 15N relaxation measurements."  J. Mol. Biol. 229, 1125-1146 (1993).

Assembly members:

Assembly members:
(30-51)Ser BPTI folding intermediate, polymer, 59 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
(30-51)Ser BPTI folding intermediate: MRPDFSLEPPYTGPSKARII RYFYNAKAGLCQTFVYGGSR AKRNNFKSAEDCRRTSGGA

Data sets:
  • assigned_chemical_shifts
Data typeCount
15N chemical shifts54
1H chemical shifts389

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1(30-51) BPTI1

Entities:

Entity 1, (30-51) BPTI 59 residues - Formula weight is not available

1   METARGPROASPPHESERLEUGLUPROPRO
2   TYRTHRGLYPROSERLYSALAARGILEILE
3   ARGTYRPHETYRASNALALYSALAGLYLEU
4   CYSGLNTHRPHEVALTYRGLYGLYSERARG
5   ALALYSARGASNASNPHELYSSERALAGLU
6   ASPCYSARGARGTHRSERGLYGLYALA

Samples:

sample_1: (30-51)Ser BPTI folding intermediate, [U-15N], 2 – 3 mM; H2O 90%; D2O 10%

Ex-cond_1: pH: 4.6; temperature: 271 K

Experiments:

NameSampleSample stateSample conditions
DQF-COSYnot availablenot availablenot available
DQnot availablenot availablenot available
NOESYnot availablenot availablenot available
ROESYnot availablenot availablenot available
TOCSYnot availablenot availablenot available
HMQCnot availablenot availablenot available
HSQCnot availablenot availablenot available
2D HMQC-NOESYnot availablenot availablenot available
2D HSQC-NOESYnot availablenot availablenot available
2D HSQC-TOCSYnot availablenot availablenot available
{1H-15N} NOEnot availablenot availablenot available
15N T1not availablenot availablenot available
15N T2not availablenot availablenot available

Software:

UXNMR - data acquisition, data processing

NMR spectrometers:

  • Bruker AMX 500 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks