BMRB Entry 52746

Name: Backbone assignments of PrgI* in 100mM NaCl, 20mM sodium phosphate, pH 7.2
Published: 2024-12-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52746

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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:

Backbone assignments of PrgI* in 100mM NaCl, 20mM sodium phosphate, pH 7.2

Deposition date:

2024-12-06

Original release date:

2024-12-13

Authors:

Jia, Ruoqing

Citation:

Citation: Jia, Ruoqing. "De Novo Design of Protein Antagonists of Bacterial Pathogen Type III Secretion System Needle Assembly" .

Assembly members:

Assembly members:
entity_1, polymer, 80 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Salmonella typhimurium Taxonomy ID: 28901 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella enterica

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-22b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MATPWSGYLDDVSAKFDTGV DNLQTQVTEALDKLAAKPSD PALLAAYQSKLSEYNLYRNA QSNTAKAFKDIDAAIIQNFR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	220
15N chemical shifts	72
1H chemical shifts	72

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	PrgI*	1

Entities:

Entity 1, PrgI* 80 residues - Formula weight is not available

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

Samples:

sample_1: PrgI*, [U-100% 13C; U-100% 15N], 300 uM; NaCl 100 mM; sodium phosphate 20 mM

sample_conditions_1: ionic strength: 100 mM; pH: 7.2; pressure: 1 atm; temperature: 298.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 15N-separated NOESY	sample_1	isotropic	sample_conditions_1

Software:

SPARKY - chemical shift assignment

NMRPipe - data analysis

NMR spectrometers:

Bruker AVANCE III 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

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

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

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