BMRB Entry 4877

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4877

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

1H NMR Analysis of the partly-folded non-native two-disulphide intermediates (30-51, 5-14) and (30-51, 5-38) in the folding pathway of bovine pancreatic trypsin inhibitor

Deposition date:

2000-10-24

Original release date:

2002-08-12

Authors:

van Mierlo, Carlo; Kemmink, Johan; Neuhaus, David; Darby, Nigel; Creighton, Thomas

Citation:

Citation: van Mierlo, Carlo; Kemmink, Johan; Neuhaus, David; Darby, Nigel; Creighton, Thomas. "1H NMR Analysis of the partly-folded non-native two-disulphide intermediates (30-51, 5-14) and (30-51, 5-38) in the folding pathway of bovine pancreatic trypsin inhibitor" J. Mol. Biol. 235, 1044-1061 (1994).

Assembly members:

Assembly members:
(30-51, 5-38)Ser BPTI folding intermediate, polymer, 58 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
(30-51, 5-38)Ser BPTI folding intermediate: RPDFCLEPPYTGPSKARIIR YFYNAKAGLCQTFVYGGCRA KRNNFKSAEDCRRTSGGA

Data sets:

assigned_chemical_shifts
- CSR_1

Data type	Count
1H chemical shifts	381

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	(30-51, 5-38)Ser BPTI	1

Entities:

Entity 1, (30-51, 5-38)Ser BPTI 58 residues - Formula weight is not available

1

ARG

PRO

ASP

PHE

CYS

LEU

GLU

PRO

TYR

2

THR

GLY

PRO

SER

LYS

ALA

ARG

ILE

ARG

3

TYR

PHE

TYR

ASN

ALA

LYS

ALA

GLY

LEU

CYS

4

GLN

THR

PHE

VAL

TYR

GLY

CYS

ARG

ALA

5

LYS

ARG

ASN

PHE

LYS

SER

ALA

GLU

ASP

6

CYS

ARG

THR

SER

GLY

ALA

Samples:

sample_1: (30-51, 5-38)Ser BPTI folding intermediate1.5 – 3 mM; H2O 90%; D2O 10%

sample_2: (30-51, 5-38)Ser BPTI folding intermediate1.5 – 3 mM; D2O 100%

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

Experiments:

Name	Sample	Sample state	Sample conditions
DQ = double quantum coherence experiment	not available	not available	Ex-cond_1

Software:

UXNMR - data acquisition, data processing

NMR spectrometers:

Bruker AMX 500 MHz