Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53466

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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:

NMR chemical shift assignment of the N-terminal disordered domain of PcoB from Caulobacter crescentus

Deposition date:

2025-12-04

Original release date:

2026-09-02

Authors:

Rouxhet, Simon; Prestel, Andreas; Kragelund, Birthe

Citation:

Citation: Balon, Hugo; Rouxhet, Simon; Mignon, Julien; Vandevenne, Marylene; Prestel, Andreas; Kragelund, Birthe; Matroule, Jean-Yves; Michaux, Catherine. "Metal-binding properties of the N-terminal intrinsically disordered region of the membrane protein PcoB involved in bacterial copper homeostasis " Int. J. Biol. Macromol. 359, 151734-151734 (2026).
PubMed: 41933762

Assembly members:

Assembly members:
entity_1, polymer, 110 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Caulobacter crescentus Taxonomy ID: 155892 Superkingdom: Bacteria Kingdom: not available Genus/species: Caulobacter vibrioides

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET24b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MIIDPQHEHHHHAPAAPVSA PAPQAADPHAHHRAPASAPP PVLAPADPHAGHKMPGPEQA APQADPHAGHHMHHAPPPIP TDHAAERFYSPAVMAAARAQ LMKEHGGGTA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	308
15N chemical shifts	86
1H chemical shifts	84

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	N-terminal domain of Caulobacter crescentus PcoB	1

Entities:

Entity 1, N-terminal domain of Caulobacter crescentus PcoB 110 residues - Formula weight is not available

1	MET	ILE	ILE	ASP	PRO	GLN	HIS	GLU	HIS	HIS
2	HIS	HIS	ALA	PRO	ALA	ALA	PRO	VAL	SER	ALA
3	PRO	ALA	PRO	GLN	ALA	ALA	ASP	PRO	HIS	ALA
4	HIS	HIS	ARG	ALA	PRO	ALA	SER	ALA	PRO	PRO
5	PRO	VAL	LEU	ALA	PRO	ALA	ASP	PRO	HIS	ALA
6	GLY	HIS	LYS	MET	PRO	GLY	PRO	GLU	GLN	ALA
7	ALA	PRO	GLN	ALA	ASP	PRO	HIS	ALA	GLY	HIS
8	HIS	MET	HIS	HIS	ALA	PRO	PRO	PRO	ILE	PRO
9	THR	ASP	HIS	ALA	ALA	GLU	ARG	PHE	TYR	SER
10	PRO	ALA	VAL	MET	ALA	ALA	ALA	ARG	ALA	GLN
11	LEU	MET	LYS	GLU	HIS	GLY	GLY	GLY	THR	ALA

Samples:

sample_1: N-terminal domain of Caulobacter crescentus PcoB, [U-100% 13C; U-100% 15N], 170 uM; DSS 125 uM; D2O 5%; HEPES 20 mM

sample_conditions_1: pH: 7.5; pressure: 1 atm; temperature: 278.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D hNcaNH	sample_1	isotropic	sample_conditions_1
3D hNcocaNH	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR v2.5.0 - data analysis

TOPSPIN v4.0.7 - collection, processing

qMDD v3 - processing

NMR spectrometers:

Bruker AVANCE III 750 MHz

UNP	A0A0H3C699
AlphaFold	A0A0H3C699

BMRB Entry 53466