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Found 1 Document (0.368 seconds)

BMRB: 18690

2LXQ

MOMERIC PIL-E G-QUADRUPLEX DNA FROM NEISSERIA GONORRHOEAE

Authors

Kuryavyi, V.V., Patel, D.J.

Assembly

MOMERIC PIL-E G-QUADRUPLEX DNA

Entity

1. MOMERIC PIL-E G-QUADRUPLEX DNA (polymer, Thiol state: not present), 22 monomers, 7062.466 Da Detail

TAGGGTGGGT TGGGTGGGGA AT

Formula weight

7062.466 Da

Source organism

Neisseria gonorrhoeae

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.3 %, Completeness (bb): 86.4 % Detail

Polymer type: polydeoxyribonucleotide

	Total	¹H
All	86.3 % (176 of 204)	86.3 % (176 of 204)
Suger, PO4	86.4 % (133 of 154)	86.4 % (133 of 154)
Nucleobase	86.0 % (43 of 50)	86.0 % (43 of 50)
Aromatic	84.1 % (37 of 44)	84.1 % (37 of 44)
Methyl	100.0 % (6 of 6)	100.0 % (6 of 6)

1. 5'-D(*TP*AP*GP*GP*GP*TP*GP*GP*GP*TP*TP*GP*GP*GP*TP *T)-3'

TAGGGTGGGT TGGGTGGGGA AT

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 100 mM KCl 5 mM KPi buffer pH 6.8

#	Name	Isotope labeling	Concentration
1	MOMERIC PIL-E G-QUADRUPLEX DNA	natural abundance	0.8-6.0 mM
2	MOMERIC PIL-E G-QUADRUPLEX DNA	[U-13C; U-15N]	0.8 mM
3	potassium chloride	natural abundance	100 mM
4	potassium phosphate	natural abundance	5 mM
5	D2O	natural abundance	90 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 100 mM KCl 5 mM KPi pH 6.8

#	Name	Isotope labeling	Concentration
6	MOMERIC PIL-E G-QUADRUPLEX DNA	natural abundance	0.8 mM
7	potassium chloride	natural abundance	100 mM
8	potassium phosphate	natural abundance	5 mM
9	D2O	natural abundance	10 %
10	H2O	natural abundance	90 %

Release date

2012-11-01

Citation

RecA-binding pilE G4 sequence essential for pilin antigenic variation forms monomeric and 5' end-stacked dimeric parallel G-quadruplexes
Kuryavyi, V., Cahoon, L.A., Seifert, H., Patel, D.J.
Structure (2012), 20, 2090-2102, PubMed 23085077 , DOI 10.1016/j.str.2012.09.013 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 18699 released on 2012-11-01
Title DIMERIC PIL-E G-QUADRUPLEX DNA FROM NEISSERIA GONORRHOEAE, N STRUCTURES

Experiments performed 5 experiments Detail

1 2D 1H-1H NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 100 mM KCl 5 mM KPi buffer pH 6.8

#	Name	Isotope labeling	Concentration
1	MOMERIC PIL-E G-QUADRUPLEX DNA	natural abundance	0.8-6.0 mM
2	MOMERIC PIL-E G-QUADRUPLEX DNA	[U-13C; U-15N]	0.8 mM
3	potassium chloride	natural abundance	100 mM
4	potassium phosphate	natural abundance	5 mM
5	D2O	natural abundance	90 %

2 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 100 mM KCl 5 mM KPi buffer pH 6.8

#	Name	Isotope labeling	Concentration
1	MOMERIC PIL-E G-QUADRUPLEX DNA	natural abundance	0.8-6.0 mM
2	MOMERIC PIL-E G-QUADRUPLEX DNA	[U-13C; U-15N]	0.8 mM
3	potassium chloride	natural abundance	100 mM
4	potassium phosphate	natural abundance	5 mM
5	D2O	natural abundance	90 %

3 2D 1H-1H TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 100 mM KCl 5 mM KPi pH 6.8

#	Name	Isotope labeling	Concentration
6	MOMERIC PIL-E G-QUADRUPLEX DNA	natural abundance	0.8 mM
7	potassium chloride	natural abundance	100 mM
8	potassium phosphate	natural abundance	5 mM
9	D2O	natural abundance	10 %
10	H2O	natural abundance	90 %

4 1H-15N JRHMQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 100 mM KCl 5 mM KPi buffer pH 6.8

#	Name	Isotope labeling	Concentration
1	MOMERIC PIL-E G-QUADRUPLEX DNA	natural abundance	0.8-6.0 mM
2	MOMERIC PIL-E G-QUADRUPLEX DNA	[U-13C; U-15N]	0.8 mM
3	potassium chloride	natural abundance	100 mM
4	potassium phosphate	natural abundance	5 mM
5	D2O	natural abundance	90 %

5 1H-15N HMBC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 100 mM KCl 5 mM KPi buffer pH 6.8

#	Name	Isotope labeling	Concentration
1	MOMERIC PIL-E G-QUADRUPLEX DNA	natural abundance	0.8-6.0 mM
2	MOMERIC PIL-E G-QUADRUPLEX DNA	[U-13C; U-15N]	0.8 mM
3	potassium chloride	natural abundance	100 mM
4	potassium phosphate	natural abundance	5 mM
5	D2O	natural abundance	90 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_18690_2lxq.nef
Input source #2: Coordindates	2lxq.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--
TAGGGTGGGTTGGGTGGGGAAT
||||||||||||||||||||||
TAGGGTGGGTTGGGTGGGGAAT

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	22	0	0	100.0

Content subtype: combined_18690_2lxq.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	H1	OK	176		100.0 (chain: A, length: 22)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	376 (1)	noe	100.0 (chain: A, length: 22)

Assigned chemical shifts

Saveframe: H1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 176
- Completeness of assignments
  - Entity_assemble_ID: A
- Histogram of normalized assigned chemical shifts

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	204	176	86.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	154	133	86.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	43	86.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	6	6	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	19	19	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 22, Sequence coverage: 100.0%
- Total number of restraints: 362
- Weight of restraints: 1.0 (362)
- Potential type of restraints: square-well-parabolic (362)
- Range of distance target values: 2.13, 5.5 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords 5'-END STACKED, ALL-PARALLEL QUADRUPLEX, G-TETRAD, N. GONORRHOEAE, PILIN Av

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Found 1 Document (0.368 seconds)

BMRB: 18690

Sample #1

Sample #2

Entries sharing articles BMRB: 1 entries Detail

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 3 contents Detail