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BMRB: 50361

7CFV

1H, 13C and 15N chemical shift assignment of an intein protein from a cyanobacterium Spirulina platensis

Authors

Boral, S., De, S.

Assembly

Spl DnaX mini-intein

Entity

1. Spl DnaX mini-intein (polymer, Thiol state: all free), 137 monomers, 15789.70 Da Detail

EALTGDALIL SDRGWLRIDD PTLQECRVLS YNESTQQWEW QQVLRWLDQG VRETWKIKTF QTEIKCTGNH LIRTDKGWIK AANITPKMKI LSPEIDAAVK TALQDVESIE KLGVNHVYDI EVEHNHNFVA NGLLVHN

Formula weight

15789.7 Da

Source organism

Arthrospira platensis

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.5 %, Completeness (bb): 98.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.5 % (1537 of 1643)	92.7 % (786 of 848)	93.8 % (594 of 633)	96.9 % (157 of 162)
Backbone	98.7 % (805 of 816)	97.5 % (271 of 278)	99.3 % (401 of 404)	99.3 % (133 of 134)
Sidechain	89.6 % (857 of 957)	89.8 % (512 of 570)	89.4 % (321 of 359)	85.7 % (24 of 28)
Aromatic	52.3 % (67 of 128)	56.3 % (36 of 64)	43.1 % (25 of 58)	100.0 % (6 of 6)
Methyl	99.4 % (175 of 176)	98.9 % (87 of 88)	100.0 % (88 of 88)

1. entity 1

EALTGDALIL SDRGWLRIDD PTLQECRVLS YNESTQQWEW QQVLRWLDQG VRETWKIKTF QTEIKCTGNH LIRTDKGWIK AANITPKMKI LSPEIDAAVK TALQDVESIE KLGVNHVYDI EVEHNHNFVA NGLLVHN

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

Release date

2020-06-24

Citation

Structural, Dynamic, and Functional Characterization of a DnaX Mini-intein Derived from Spirulina platensis Provides Important Insights into Intein-Mediated Catalysis of Protein Splicing
Boral, S., Maiti, S., Basak, A.J., Lee, W., De, S.
Biochemistry (2020), 59, 4711-4724, PubMed 33289560 , DOI 10.1021/acs.biochem.0c00828 , Abstract

Related entities 1. Spl DnaX mini-intein, : 1 : 16 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

3 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

4 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

5 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

6 3D HN(CA)CO

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

7 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

8 3D C(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

9 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

10 3D H(CCO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

11 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

12 3D 1H-15N TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

13 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

14 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Spl DnaX mini-intein	[U-100% 13C; U-100% 15N]		0.65 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50361_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: bmr50361_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1719		100.0 (chain: 1, length: 137)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 137, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 968
  - ¹³C chemical shifts: 594
  - ¹⁵N chemical shifts: 157
- 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 mini-intein, Spirulina platensis, Structural and functional characterization, highly active