BMRB Entry 5282

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PDB ID: 1kr8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5282
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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:

Refinement of d(GCGAAGC) Hairpin Structure Using One- and Two-Bonds Residual Dipolar Couplings

Deposition date:

2002-02-07

Original release date:

2003-02-20

Authors:

Padrta, P.; Stefl, R.; Zidek, L.; Sklenar, V.

Citation:

Citation: Padrta, P.; Stefl, R.; Kralik, L.; Zidek, L.; Sklenar, V.. "Refinement of d(GCGAAGC) Hairpin Structure Using One- and Two-bond Residual Dipolar Couplings" J. Biomol. NMR 24, 1-14 (2002).
PubMed: 12449414

Assembly members:

Assembly members:
GCGAAGC hairpin, polymer, 7 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Herpes simplex virus Taxonomy ID: 10294 Superkingdom: Viruses Kingdom: not available Genus/species: Simplexvirus n/a

Experimental source:

Experimental source: Production method: vendor

Entity Sequences (FASTA):

Entity Sequences (FASTA):
GCGAAGC hairpin: GCGAAGC

Data sets:

assigned_chemical_shifts
- chemical_shift_1

Data type	Count
13C chemical shifts	35
15N chemical shifts	9
1H chemical shifts	68
31P chemical shifts	6

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	5'-D(GPCPGPAPAPGP*C)-3'	1

Entities:

Entity 1, 5'-D(*GP*CP*GP*AP*AP*GP*C)-3' 7 residues - Formula weight is not available

1

DG

DC

DG

DA

DG

DC

Samples:

sample_1: GCGAAGC hairpin 6 mM; Na phosphate buffer 10 mM; D2O 100%

sample_2: GCGAAGC hairpin 6 mM; Na phosphate buffer 10 mM; H2O 90%; D2O 10%

sample_3: GCGAAGC hairpin, [U-13C; U-15N], 0.5 mM; Na phosphate buffer 10 mM; H2O 90%; D2O 10%

condition_1: pH: 6.7; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	not available	not available	condition_1
E-COSY	not available	not available	condition_1
DQF-COSY	not available	not available	condition_1
COUPLED HSQC	not available	not available	condition_1
S3E E-COSY	not available	not available	condition_1

Software:

xwinnmr v2.6,3.0 - spectra processing

SPARKY v3.xx - assignment and integration

AMBER v6.0 - structure refinement

NMR spectrometers:

Bruker AVANCE-DRX 500 MHz