BMRB Entry 4855

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR4855

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

(14-38, 30-51) Double-disulphide intermediate in folding of Bovine Pancreatic Trypsin Inhibitor: A two-dimensional 1H nuclear magnetic resonance study

Deposition date:

2000-10-13

Original release date:

2002-08-12

Authors:

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

Citation:

Citation: van Mierlo, Carlo; Darby, Nigel; Neuhaus, David; Creighton, Thomas. "(14-38, 30-51) Double-disulphide intermediate in folding of Bovine Pancreatic Trypsin Inhibitor: A two-dimensional 1H nuclear magnetic resonance study" J. Mol. Biol. 222, 353-371 (1991).

Assembly members:

Assembly members:
(14-38, 30-51)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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
(14-38, 30-51)Ser BPTI folding intermediate: RPDFSLEPPYTGPCKARIIR YFYNAKAGLCQTFVYGGCRA KRNNFKSAEDCRRTSGGA

Data sets:

assigned_chemical_shifts
- CSR_1

Data type	Count
1H chemical shifts	401

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	(14-38, 30-51)Ser BPTI	1

Entities:

Entity 1, (14-38, 30-51)Ser BPTI 58 residues - Formula weight is not available

1

ARG

PRO

ASP

PHE

SER

LEU

GLU

PRO

TYR

2

THR

GLY

PRO

CYS

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: (14-38, 30-51)Ser BPTI folding intermediate2 – 3 mM; H2O 90%; D2O 10%

sample_2: (14-38, 30-51)Ser BPTI folding intermediate2 – 3 mM; D2O 100%

Ex-cond_1: pH: 4.6; temperature: 283 K

Experiments:

Name	Sample	Sample state	Sample conditions
DQF-COSY	not available	not available	not available
Double Quantum Coherence	not available	not available	not available
NOESY	not available	not available	not available
ROESY	not available	not available	not available
TOCSY	not available	not available	not available

Software:

UXNMR - data acquisition, data processing

NMR spectrometers:

Bruker AM 500 MHz
Bruker AMX 500 MHz