BMRB Entry 53327

Name: Chemical shift assignment of the C-terminal region of PcoAA14A
Published: 2025-09-19

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53327

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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:

Chemical shift assignment of the C-terminal region of PcoAA14A

Deposition date:

2025-08-23

Original release date:

2025-09-19

Authors:

Courtade, Gaston

Citation:

Citation: Tamburrini, Ketty; Chorozian, Koar; Roblin, Clarisse; Labourel, Aurore; Haon, Mireille; Grisel, Sacha; Topakas, Evangelos; Lafond, Michael; Guigliarelli, Bruno; Courtade, Gaston; Longhi, Sonia; Berrin, Jean-Guy. "Chemical shift assignment of the C-terminal region of PcoAA14A" .

Assembly members:

Assembly members:
entity_1, polymer, 25 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Trametes coccinea Taxonomy ID: 158605 Superkingdom: Eukaryota Kingdom: Fungi Genus/species: Trametes coccinea

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: CKPRPSGVAAQKKKRKHARH LHNAH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	44
15N chemical shifts	21
1H chemical shifts	127

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	dCTR_Cys	1

Entities:

Entity 1, dCTR_Cys 25 residues - Formula weight is not available

1

CYS

LYS

PRO

ARG

PRO

SER

GLY

VAL

ALA

2

GLN

LYS

ARG

LYS

HIS

ALA

ARG

HIS

3

LEU

HIS

ASN

ALA

HIS

Samples:

sample_1: dCTR_Cys 5 mM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v4.1 - collection, processing

CcpNMR v3.3.2.1 - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 800 MHz