BMRB Entry 7011

Name: Solution structure of 97-109 segment of staphylococcal nuclease
Published: 2007-11-16

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PDB ID: 2fxz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7011
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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 structure of 97-109 segment of staphylococcal nuclease

Deposition date:

2006-02-28

Original release date:

2007-11-16

Authors:

Wang, M.; Shan, L.; Wang, J.

Citation:

Citation: Wang, M.; Shan, L.; Wang, J.. "Two peptide fragments G55-I72 and K97-A109 from staphylococcal nuclease exhibit different behaviors in conformational preferences for helix formation" Biopolymers 83, 268-279 (2006).
PubMed: 16767771

Assembly members:

Assembly members:
13-mer peptide from Thermonuclease (E.C.3.1.31.1), polymer, 13 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
13-mer peptide from Thermonuclease (E.C.3.1.31.1): KMVNEALVRQGLA

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
13C chemical shifts	43
1H chemical shifts	76

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	13-mer peptide from Thermonuclease	1

Entities:

Entity 1, 13-mer peptide from Thermonuclease 13 residues - Formula weight is not available

1

LYS

MET

VAL

ASN

GLU

ALA

LEU

VAL

ARG

GLN

2

GLY

LEU

ALA

Samples:

sample_1: 13-mer peptide from Thermonuclease (E.C.3.1.31.1) 2.0 mM; DSS 0.02 mM; NaN3 0.02 mM; trifluoroethanol-d4 40%; H2O 60%

sample_cond_1: ionic strength: 0 M; pH: 5.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	not available	not available	not available
2D TOCSY	not available	not available	not available
2D ROESY	not available	not available	not available
2D 13C HSQC	not available	not available	not available
2D 13C HSQC-TOCSY	not available	not available	not available

Software:

xwinnmr v3.5 - collection

FELIX v98 - data analysis

CNS v1.1 - structure solution, refinement

NMR spectrometers:

Bruker DMX 600 MHz