BMRB Entry 51902

Name: Backbone and side chain chemical shift assignments of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from S. aureus
Published: 2023-04-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51902

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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 and side chain chemical shift assignments of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from S. aureus

Deposition date:

2023-04-11

Original release date:

2023-04-13

Authors:

Wahab, Atia-tul-; Ashraf, Faryal; Choudhary, M. Iqbal

Citation:

Citation: Wahab, Atia-tul-; Ashraf, Faryal; Choudhary, M. Iqbal. "Solution NMR structure and functional annotation of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from S.aureus" .

Assembly members:

Assembly members:
entity_1, polymer, 89 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Staphylococcus aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: AGMKTIELHITLQPQVLDTQ GQTLTRAVHDLGYAQVNDIR VGKVLYMTVDEVSDEKVHNI ITTLSEKLFANTVIEEYSYK VLDDEKENA

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	393
15N chemical shifts	88
1H chemical shifts	643

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	subunit PurS	1

Entities:

Entity 1, subunit PurS 89 residues - Formula weight is not available

1

ALA

GLY

MET

LYS

THR

ILE

GLU

LEU

HIS

ILE

2

THR

LEU

GLN

PRO

GLN

VAL

LEU

ASP

THR

GLN

3

GLY

GLN

THR

LEU

THR

ARG

ALA

VAL

HIS

ASP

4

LEU

GLY

TYR

ALA

GLN

VAL

ASN

ASP

ILE

ARG

5

VAL

GLY

LYS

VAL

LEU

TYR

MET

THR

VAL

ASP

6

GLU

VAL

SER

ASP

GLU

LYS

VAL

HIS

ASN

ILE

7

ILE

THR

LEU

SER

GLU

LYS

LEU

PHE

ALA

8

ASN

THR

VAL

ILE

GLU

TYR

SER

TYR

LYS

9

VAL

LEU

ASP

GLU

LYS

GLU

ASN

ALA

Samples:

sample_1: PurS-PRFGS, [U-13C; U-15N], 1.2 mM; sodium phosphate 20 mM; sodium chloride 20 mM; DSS 0.15 mM; sodium azide 0.03%

sample_conditions_1: pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.6 - collection

CYANA v3.92.15 - structure solution

CARA - chemical shift assignment, data analysis

TALOS+ - refinement

SPARKY - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Bruker AVANCE III 800 MHz MHz