BMRB Entry 5171

Name: NMR Structure of BPTI Mutant G37A
Published: 2002-05-06

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5171

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: NMR Structure of BPTI Mutant G37A PubMed: 11841215

Deposition date: 2001-10-03 Original release date: 2002-05-06

Authors: Battiste, J.; Li, R.; Woodward, C.

Citation: Battiste, J.; Li, R.; Woodward, C.. "A Highly Destabilizing Mutation, G37A, of the Bovine Pancreatic Trypsin Inhibitor Retains the Average Native Conformation but Greatly Increases Local Flexibility" Biochemistry 41, 2237-2245 (2002).

Assembly members:
BPTI, polymer, 58 residues, Formula weight is not available

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source: Production method: .

Entity Sequences (FASTA):
BPTI: RPDFCLEPPYTGPCKARIIR YFYNAKAGLCQTFVYGACRA KRNNFKSAEDCMRTCGGA

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	321

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BPTI G37A	1

Entities:

Entity 1, BPTI G37A 58 residues - Formula weight is not available

1

ARG

PRO

ASP

PHE

CYS

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

ALA

CYS

ARG

ALA

5

LYS

ARG

ASN

PHE

LYS

SER

ALA

GLU

ASP

6

CYS

MET

ARG

THR

CYS

GLY

ALA

Samples:

sample_1: BPTI 5 mM; H2O 90%; D2O 10%

sample_2: BPTI 5 mM; D2O 99.9%

sample_cond_1: ionic strength: 30 mM; pH: 4.6; pressure: 1 atm; temperature: 298 K

sample_cond_2: ionic strength: 30 mM; pH: 4.6; pressure: 1 atm; temperature: 283 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	not available	not available	not available
DQF-COSY	not available	not available	not available

Software:

VNMR v6.1B - data collection

NMRPipe v1.7 - data processing

XEASY v1.2 - data analysis

X-PLOR v3.851 - structure solution, refinement

NMR spectrometers:

Varian INOVA 800 MHz