BMRB Entry 18917

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PDB ID: 2m2j
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18917
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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:

Solution NMR structure of the N-terminal domain of STM1478 from Salmonella typhimurium LT2: Target STR147A of the Northeast Structural Genomics consortium (NESG), and APC101565 of the Midwest Center for Structural Genomics (MCSG).

Deposition date:

2012-12-21

Original release date:

2013-02-15

Authors:

Houliston, Scott; Yee, Adelinda; Lemak, Alexander; Garcia, Maite; Wu, Bin; Savchenko, Alexei; Arrowsmith, Cheryl

Citation:

Citation: Houliston, Scott; Yee, Adelinda; Lemak, Alexander; Garcia, Maite; Wu, Bin; Savchenko, Alexei; Arrowsmith, Cheryl. "NMR solution structure of the N-terminal STM1478, from Salmonella typhimurium LT2" .

Assembly members:

Assembly members:
entity, polymer, 92 residues, 7611.469 Da.

Natural source:

Natural source: Common Name: Salmonella typhimurium Taxonomy ID: 90371 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella typhimurium

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: p15Tv lic

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MGSSHHHHHHSSGRENLYFQ GHAATELTPEQAAALKPYDR IVITGRFNAIGDAVSAVSRR ADEEGAASFYVVDTSEFGNS GNWRVVADVYKA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	262
15N chemical shifts	67
1H chemical shifts	422

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	tstm1395	1

Entities:

Entity 1, tstm1395 92 residues - 7611.469 Da.

1

MET

GLY

SER

HIS

2

SER

GLY

ARG

GLU

ASN

LEU

TYR

PHE

GLN

3

GLY

HIS

ALA

THR

GLU

LEU

THR

PRO

GLU

4

GLN

ALA

LEU

LYS

PRO

TYR

ASP

ARG

5

ILE

VAL

ILE

THR

GLY

ARG

PHE

ASN

ALA

ILE

6

GLY

ASP

ALA

VAL

SER

ALA

VAL

SER

ARG

7

ALA

ASP

GLU

GLY

ALA

SER

PHE

TYR

8

VAL

ASP

THR

SER

GLU

PHE

GLY

ASN

SER

9

GLY

ASN

TRP

ARG

VAL

ALA

ASP

VAL

TYR

10

LYS

ALA

Samples:

sample_1: entity, [U-13C; U-15N], 0.5 mM; BIS-TRIS 10 mM; sodium chloride 200 mM; ZnSO4 10 uM; DTT 10 mM; benzamidine 1 mM

sample_conditions_1: ionic strength: 200 mM; pH: 6.5; pressure: 1 atm; temperature: 298 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 CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - peak picking

FMC, Lemak,Steren,Llinas, Arrowsmith - chemical shift assignment

TALOS, Cornilescu, Delaglio and Bax - data analysis

PSVS, Bhattacharya and Montelione - validation

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 600 MHz

PDB	2M2J
GB	AHS60141