BMRB Entry 18276

Name: 1H, 13C and 15N chemical shifts for Salmonella Typhimurium PrgI Type three secretion system needle subunit
Published: 2012-03-23

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PDB ID: 2mex
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR18276
MolProbity Validation Chart

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

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Title: 1H, 13C and 15N chemical shifts for Salmonella Typhimurium PrgI Type three secretion system needle subunit PubMed: 21401039

Deposition date: 2012-02-18 Original release date: 2012-03-23

Authors: Loquet, Antoine; Lv, Guohua; Giller, Karin; Becker, Stefan; Lange, Adam

Citation: Loquet, Antoine; Lv, Guohua; Giller, Karin; Becker, Stefan; Lange, Adam. "13C spin dilution for simplified and complete solid-state NMR resonance assignment of insoluble biological assemblies" J. Am. Chem. Soc. 133, 4722-4725 (2011).

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

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

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

Entity Sequences (FASTA):
PrgI: MATPWSGYLDDVSAKFDTGV DNLQTQVTEALDKLAAKPSD PALLAAYQSKLSEYNLYRNA QSNTVKVFKDIDAAIIQNFR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	380
15N chemical shifts	85
1H chemical shifts	74

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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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	VAL	LYS	VAL	PHE	LYS	ASP
8	ILE	ASP	ALA	ALA	ILE	ILE	GLN	ASN	PHE	ARG

Name	Sample	Sample state	Sample conditions
13C-13C (PDSD)	sample_1	solid	sample_conditions_1
15N-13C (Specific-CP)	sample_1	solid	sample_conditions_1

BMRB	16770
PDB	2KV7 2LPZ 2MEX 2X9C 3ZQB 3ZQE
DBJ	BAJ37865 BAP08778
EMBL	CAR34293 CAR38585 CBG25842 CBW18951 CBY97043
GB	AAB60189 AAL21753 AAX49613 AAX66711 ABX68915
REF	NP_461794 WP_000235228 WP_001143113 WP_001527993 WP_023259990
SP	P41784

Biological Magnetic Resonance Data Bank

BMRB Entry 18276

Title: 1H, 13C and 15N chemical shifts for Salmonella Typhimurium PrgI Type three secretion system needle subunit PubMed: 21401039

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links:

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	VAL	LYS	VAL	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	VAL	LYS	VAL	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	VAL	LYS	VAL	PHE	LYS	ASP
8	ILE	ASP	ALA	ALA	ILE	ILE	GLN	ASN	PHE	ARG