BMRB Entry 15089

Name: Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65.
Published: 2008-09-25

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PDB ID: 2jn8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15089
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65.

Deposition date:

2006-12-29

Original release date:

2008-09-25

Authors:

Aramini, James; Cort, John; Chi, Ho; Kellie, Cunningham; Li-Chung, Ma; Rong, Xiao; Jinfeng, Liu; Micheal, Baran; Gurla, Swapna; Thomas, Acton; Burkhard, Rost; Gaetano, Montelione

Citation:

Citation: Aramini, James; Cort, John; Chi, Ho; Kellie, Cunningham; Li-Chung, Ma; Rong, Xiao; Jinfeng, Liu; Micheal, Baran; Gurla, Swapna; Thomas, Acton; Burkhard, Rost; Montelione, Gaetano. "Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65." .
PubMed: TBA

Assembly members:

Assembly members:
StR65, polymer, 115 residues, 12949.884 Da.

Natural source:

Natural source: Common Name: Salmonella typhimurium Taxonomy ID: 602 Superkingdom: not available Kingdom: Bacteria Genus/species: not available Salmonella

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: StR65-21.1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
StR65: MVNFKDKSMPTAIEKALDFI GGMNTSASVPHSMDESTAKG ILKYLHDLGVPVSPEVVVAR GEQEGWNPEFTKKVAGWAEK VASGNRILIKNPEYFSTYMQ EQLKELVLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	483
15N chemical shifts	108
1H chemical shifts	768

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	StR65	1

Entities:

Entity 1, StR65 115 residues - 12949.884 Da.

Residues 108-115 represent a non-native affinity tag.

1

MET

VAL

ASN

PHE

LYS

ASP

LYS

SER

MET

PRO

2

THR

ALA

ILE

GLU

LYS

ALA

LEU

ASP

PHE

ILE

3

GLY

MET

ASN

THR

SER

ALA

SER

VAL

PRO

4

HIS

SER

MET

ASP

GLU

SER

THR

ALA

LYS

GLY

5

ILE

LEU

LYS

TYR

LEU

HIS

ASP

LEU

GLY

VAL

6

PRO

VAL

SER

PRO

GLU

VAL

ALA

ARG

7

GLY

GLU

GLN

GLU

GLY

TRP

ASN

PRO

GLU

PHE

8

THR

LYS

VAL

ALA

GLY

TRP

ALA

GLU

LYS

9

VAL

ALA

SER

GLY

ASN

ARG

ILE

LEU

ILE

LYS

10

ASN

PRO

GLU

TYR

PHE

SER

THR

TYR

MET

GLN

11

GLU

GLN

LEU

LYS

GLU

LEU

VAL

LEU

GLU

HIS

12

HIS

Samples:

sample_1: StR65, [U-100% 13C; U-100% 15N], 1.17 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; sodium azide 0.02%

sample_2: StR65, [U-5% 13C; U-100% 15N], 0.89 mM; MES 20 mM; NaCl 100 mM; CaCl2 5 mM; DTT 10 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-COSY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D TR backbone expts	sample_1	isotropic	sample_conditions_1
3D TR backbone expts	sample_1	isotropic	sample_conditions_1
high resolution 2D 1H-13C HSQC	sample_2	isotropic	sample_conditions_1

Software:

VNMR v6.1C, Varian - collection

xwinnmr vXWINNMR 3.5pl6, Bruker - collection

AutoAssign v2.2.1, Zimmerman, Moseley, Kulikowski, Montelione - chemical shift assignment

SPARKY v3.110, Goddard - data analysis, peak picking

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - refinement, structure solution

X-PLOR NIH v2.11.2, Schwieters, Kuszewski, Tjandra and Clore - refinement

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

PDBStat v4.1, Tejero and Montelione - data analysis

PSVS v1.3, Bhattacharya, Hang and Montelione - data analysis

NMR spectrometers:

Varian INOVA 750 MHz
Varian INOVA 600 MHz
Bruker AMX 600 MHz
Varian INOVA 500 MHz

PDB	2JN8
DBJ	BAJ35334 BAP06087 GAL41201 GAL45758
EMBL	CAR31896 CAR36239 CBG23406 CBW16422 CBY94375
GB	AAL19281 AAX64278 ACF65524 ACN44523 ACY86903
REF	NP_459322 WP_001141634 WP_001141635 WP_001141636 WP_001141637