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BMRB: 5619

2KZN

Resonance assignments for the methionine sulfoxide reductase B from Bacillus subtilis, Northeast Structural Genomics Consortium target SR10

Authors

Zheng, D., Cort, J.R., Chiang, Y., Kennedy, M.A., Montelione, G.T.

Assembly

methionine sulfoxide reductase B

Entity

1. methionine sulfoxide reductase B (polymer, Thiol state: all free), 151 monomers, 17666.43 Da Detail

MAYNKEEKIK SLNRMQYEVT QNNGTEPPFQ NEYWDHKEEG LYVDIVSGKP LFTSKDKFDS QCGWPSFTKP IEEEVEEKLD TSHGMIRTEV RSRTADSHLG HVFNDGPGPN GLRYCINSAA LRFVPKHKLK EEGYESYLHL FNKLEHHHHH H

Formula weight

17666.43 Da

Source organism

Bacillus subtilis

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.0 %, Completeness: 43.8 %, Completeness (bb): 76.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.8 % (794 of 1814)	21.6 % (206 of 953)	64.2 % (451 of 703)	86.7 % (137 of 158)
Backbone	76.3 % (679 of 890)	46.1 % (140 of 304)	92.1 % (408 of 443)	91.6 % (131 of 143)
Sidechain	23.0 % (245 of 1065)	10.2 % (66 of 649)	43.1 % (173 of 401)	40.0 % (6 of 15)
Aromatic	0.5 % (1 of 198)	1.0 % (1 of 99)	0.0 % (0 of 97)	0.0 % (0 of 2)
Methyl	72.8 % (83 of 114)	70.2 % (40 of 57)	75.4 % (43 of 57)

1. methionine sulfoxide reductase msrB

MAYNKEEKIK SLNRMQYEVT QNNGTEPPFQ NEYWDHKEEG LYVDIVSGKP LFTSKDKFDS QCGWPSFTKP IEEEVEEKLD TSHGMIRTEV RSRTADSHLG HVFNDGPGPN GLRYCINSAA LRFVPKHKLK EEGYESYLHL FNKLEHHHHH H

Show sample condition

Sample

Temperature 293 (±1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	methionine sulfoxide reductase msrB	[U-13C; U-15N; U-2H] with Val, Leu, Ile(delta) methyl protonated		1.0 mM

LACS Plot; CA

Referencing offset: 0.89 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.89 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.51 ppm, Outliers: 3 Detail

Release date

2002-12-26

Citation

Letter to the Editor: 1H, 13C and 15N resonance assignments for methionine sulfoxide reductase B from Bacillus subtilis
Zheng, D., Cort, J.R., Chiang, Y., Acton, T., Kennedy, M.A., Montelione, G.T.
J. Biomol. NMR (2003), 27, 183-184

Related entities 1. methionine sulfoxide reductase B, : 1 : 2 : 115 entities Detail

Experiments performed 8 experiments Detail

1 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	methionine sulfoxide reductase msrB	[U-13C; U-15N; U-2H] with Val, Leu, Ile(delta) methyl protonated		1.0 mM

2 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	methionine sulfoxide reductase msrB	[U-13C; U-15N; U-2H] with Val, Leu, Ile(delta) methyl protonated		1.0 mM

3 HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	methionine sulfoxide reductase msrB	[U-13C; U-15N; U-2H] with Val, Leu, Ile(delta) methyl protonated		1.0 mM

4 HN(CA)CO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	methionine sulfoxide reductase msrB	[U-13C; U-15N; U-2H] with Val, Leu, Ile(delta) methyl protonated		1.0 mM

5 HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	methionine sulfoxide reductase msrB	[U-13C; U-15N; U-2H] with Val, Leu, Ile(delta) methyl protonated		1.0 mM

6 HN(CO)CACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	methionine sulfoxide reductase msrB	[U-13C; U-15N; U-2H] with Val, Leu, Ile(delta) methyl protonated		1.0 mM

7 H(CCCO)NH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	methionine sulfoxide reductase msrB	[U-13C; U-15N; U-2H] with Val, Leu, Ile(delta) methyl protonated		1.0 mM

8 (H)CC(CO)NH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Temperature 293 (±1) K, pH 6.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	methionine sulfoxide reductase msrB	[U-13C; U-15N; U-2H] with Val, Leu, Ile(delta) methyl protonated		1.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5619_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: bmr5619_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	842		93.4 (chain: 1, length: 151)
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: 151, Sequence coverage: 93.4%
- Total number of assignments
  - ¹³C chemical shifts: 447
  - ¹H chemical shifts: 259
  - ¹⁵N chemical shifts: 136
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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 methionine sulfoxide reductase, AutoAssign, structural proteomics