BMRB Entry 18690

Name: MOMERIC PIL-E G-QUADRUPLEX DNA FROM NEISSERIA GONORRHOEAE
Published: 2012-11-02

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PDB ID: 2lxq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18690
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: MOMERIC PIL-E G-QUADRUPLEX DNA FROM NEISSERIA GONORRHOEAE PubMed: 23085077

Deposition date: 2012-08-30 Original release date: 2012-11-02

Authors: Kuryavyi, V.; Patel, D.

Citation: Kuryavyi, Vitaly; Cahoon, Laty; Seifert, H. Steven; Patel, Dinshaw. "RecA-binding pilE G4 sequence essential for pilin antigenic variation forms monomeric and 5' end-stacked dimeric parallel G-quadruplexes." Structure 20, 2090-2102 (2012).

Assembly members:
5'-D(*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*TP_*T)-3'_, polymer, 22 residues, 6999.553 Da.

Natural source: Common Name: Neisseria Gonorrhoeae Taxonomy ID: 485 Superkingdom: Bacteria Kingdom: not available Genus/species: Neisseria Gonorrhoeae

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
5'-D(*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*TP_*T)-3'_: TAGGGTGGGTTGGGTGGGGA AT

Data sets:

assigned_chemical_shifts
- H1

Data type	Count
1H chemical shifts	188

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MOMERIC PIL-E G-QUADRUPLEX DNA	1

Entities:

Entity 1, MOMERIC PIL-E G-QUADRUPLEX DNA 22 residues - 6999.553 Da.

1

DT

DA

DG

DT

DG

DT

2

DT

DG

DT

DG

DA

3

DA

DT

Samples:

sample_1: MOMERIC PIL-E G-QUADRUPLEX DNA 0.8-6.0 mM; MOMERIC PIL-E G-QUADRUPLEX DNA, [U-13C; U-15N], 0.8 mM; potassium chloride 100 mM; potassium phosphate 5 mM; D2O 90%

sample_2: MOMERIC PIL-E G-QUADRUPLEX DNA 0.8 mM; potassium chloride 100 mM; potassium phosphate 5 mM; D2O 10%; H2O 90%

sample_conditions_1: ionic strength: 0.105 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
1H-15N JRHMQC	sample_1	isotropic	sample_conditions_1
1H-15N HMBC	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR v3.851, BRUNGER, SCHWIETERS, KUSZEWSKI, TJ - refinement

NMR spectrometers:

Varian INOVA 600 MHz
Bruker Avance 800 MHz