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BMRB: 5538

1H3Z

1H, 13C, and 15N Chemical Shift Assignments for a PWWP domain from Sch. pombe

Authors

Slater, L.M., Allen, M.D., Bycroft, M.

Assembly

PWWP domain

Entity

1. PWWP domain (polymer, Thiol state: not present), 109 monomers, 12194.02 Da Detail

GSERVNYKPG MRVLTKMSGF PWWPSMVVTE SKMTSVARKS KPKRAGTFYP VIFFPNKEYL WTGSDSLTPL TSEAISQFLE KPKPKTASLI KAYKMAQSTP DLDSLSVPS

Formula weight

12194.02 Da

Source organism

Schizosaccharomyces pombe

Exptl. method

Refine. method

DISTANCE GEOMETRY SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.5 %, Completeness (bb): 96.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.5 % (1132 of 1308)	96.4 % (661 of 686)	70.8 % (366 of 517)	100.0 % (105 of 105)
Backbone	96.2 % (608 of 632)	95.3 % (202 of 212)	95.7 % (308 of 322)	100.0 % (98 of 98)
Sidechain	79.7 % (622 of 780)	96.8 % (459 of 474)	52.2 % (156 of 299)	100.0 % (7 of 7)
Aromatic	54.2 % (64 of 118)	96.6 % (57 of 59)	7.1 % (4 of 56)	100.0 % (3 of 3)
Methyl	96.1 % (98 of 102)	96.1 % (49 of 51)	96.1 % (49 of 51)

1. PWWP domain

GSERVNYKPG MRVLTKMSGF PWWPSMVVTE SKMTSVARKS KPKRAGTFYP VIFFPNKEYL WTGSDSLTPL TSEAISQFLE KPKPKTASLI KAYKMAQSTP DLDSLSVPS

Show sample condition

Sample

Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

LACS Plot; CA

Referencing offset: 0.67 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.67 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.11 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 23 models in PDB: 1H3Z, Strand ID: A Detail

Release date

2003-07-31

Citation

Structural variation in PWWP domains
Slater, L.M., Allen, M.D., Bycroft, M.
J. Mol. Biol. (2003), 330, 571-576, PubMed 12842472 , DOI: , Abstract

Related entities 1. PWWP domain, : 1 : 2 : 26 entities Detail

Experiments performed 13 experiments Detail

1 1H-15N NOESY

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

2 1H-15N TOCSY

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

3 2D NOESY

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

4 2D TOCSY

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

5 2D DQF-COSY

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

6 15N-HSQC

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

7 13C-HSQC

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

8 HNCACB

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

9 CBCACONH

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

10 HN(CO)CA

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

11 HNCO

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

12 HNHB

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

13 13C-NOESY

Instrument

Bruker Advance - 800 MHz

Sample

State isotropic, Temperature 290 (±0.1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	PWWP domain	[U-99% 13C; U-99% 15N]		1.0 mM
2	potassium phosphate			50 mM
3	NaCl			300 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5538_3.str
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

Content subtype: bmr5538_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1255		100.0 (chain: 1, length: 109)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 109, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 364
  - ¹H chemical shifts: 787
  - ¹⁵N chemical shifts: 104
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords PWWP, chromatin, beta-barrel