BMRB Entry 15341

Name: Solution Structure of Q5LLS5 from Silicibacter pomeroyi. Northeast Structural Genomics Consortium target SiR90.
Published: 2007-07-23

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PDB ID: 2jrr
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15341
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution Structure of Q5LLS5 from Silicibacter pomeroyi. Northeast Structural Genomics Consortium target SiR90.

Deposition date:

2007-06-28

Original release date:

2007-07-23

Authors:

Swapna, G.; Tejero, R; Jiang, M; Cunningham, K; Maglaqui, M; Owens, L; Liu, J.; Wang, H; Acton, T; Xiao, R; Baran, M; Rost, B; Montelione, G.

Citation:

Citation: Swapna, G.; Tejero, R; Jiang, M; Cunningham, K; Maglaqui, M; Owens, L; Liu, J.; Baran, M; Acton, T; Xiao, R; Rost, B; Montelione, G.. "NMR solution Structure of Q5LLS5 from Silicibacter pomeroyi.Northeast Structural Genomics Consortium target SiR90" .

Assembly members:

Assembly members:
SiR90, polymer, 67 residues, 7520.601 Da.

Natural source:

Natural source: Common Name: Silicibacter pomeroyi Taxonomy ID: 89184 Superkingdom: Bacteria Kingdom: not available Genus/species: Silicibacter pomeroyi

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: SiR90-21.0

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SiR90: MTIQAPETKIVDKSRVACDG GEGALGHPRVWLQIPEDTGW VECPYCDCKYVLKGSKADAL EHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	206
15N chemical shifts	62
1H chemical shifts	415

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	full length SiR90	1

Entities:

Entity 1, full length SiR90 67 residues - 7520.601 Da.

Residues 60-67 represent a non-native affinity purification tag (LEHHHHHH)

1

MET

THR

ILE

GLN

ALA

PRO

GLU

THR

LYS

ILE

2

VAL

ASP

LYS

SER

ARG

VAL

ALA

CYS

ASP

GLY

3

GLY

GLU

GLY

ALA

LEU

GLY

HIS

PRO

ARG

VAL

4

TRP

LEU

GLN

ILE

PRO

GLU

ASP

THR

GLY

TRP

5

VAL

GLU

CYS

PRO

TYR

CYS

ASP

CYS

LYS

TYR

6

VAL

LEU

LYS

GLY

SER

LYS

ALA

ASP

ALA

LEU

7

GLU

HIS

Samples:

sample_1: SiR90, [5% 13C; U-100% 15N], 0.65 mM; Tris 10 mM; DTT 5 mM; NaCl 100 mM

sample_2: SiR90, [U-100% 13C; U-100% 15N], 0.65 mM; Tris 10 mM; DTT 5 mM; NaCl 100 mM

sample_3: SiR90, [U-100% 13C; U-100% 15N], 0.65 mM; Tris 10 mM; DTT 5 mM; NaCl 100 mM

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

sample_conditions_2: ionic strength: 100 M; pH: 6.5; pressure: 1 atm; temperature: 293 K

sample_conditions_3: 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
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_2
2D 1H-13C HSQC (aliph)	sample_2	isotropic	sample_conditions_2
3D CBCA(CO)NH	sample_2	isotropic	sample_conditions_2
3D HNCACB	sample_2	isotropic	sample_conditions_2
3D HBHA(CO)NH	sample_2	isotropic	sample_conditions_2
3D HNHA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_2	isotropic	sample_conditions_2
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_2
3D 1H-13C NOESY (aliph)	sample_2	isotropic	sample_conditions_2
2D 1H-15N HSQC	sample_3	isotropic	sample_conditions_3
2D 1H-13C HSQC (arom)	sample_2	isotropic	sample_conditions_2
3D 1H-13C NOESY (arom)	sample_2	isotropic	sample_conditions_2

Software:

PSVS v1.3, Bhattacharya , Hang and Montelione - Structure Validation

PDBStat v4.1, Roberto Tejero and Montelione - data analysis

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

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

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

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

SPARKY v3.110, Goddard - data analysis

VNMR v6.1c, Varian - collection

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

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 500 MHz

PDB	2JRR
GB	AAV97060
REF	WP_011049517