BMRBj - BMREntryMaster

Found 1 Document (0.427 seconds)

BMRB: 34695

7QIL

Solution NMR structure of halophilic DnaE intein

Authors

Heikkinen, H.A., Aranko, S.A., Iwai, H.

Assembly

DnaE intein

Entity

1. DnaE intein (polymer), 140 monomers, 15450.45 Da Detail

SGGALSYDTE ILTTEYGLLP IGDIVESETE CTVYSVDSDG STYTQGVAEW HDRGEQEVFE YCLEDGSTIR ATKDHKFMTT DGEMLPIDEI FESELDLMRV DSSGDTKIAT REYTGSEDVY DIGVESDHNF ALSDGFIASN

Formula weight

15450.45 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.6 %, Completeness: 91.9 %, Completeness (bb): 96.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.9 % (1393 of 1515)	93.4 % (716 of 767)	90.3 % (543 of 601)	91.2 % (134 of 147)
Backbone	96.5 % (807 of 836)	95.9 % (279 of 291)	97.8 % (398 of 407)	94.2 % (130 of 138)
Sidechain	88.2 % (711 of 806)	91.8 % (437 of 476)	84.1 % (270 of 321)	44.4 % (4 of 9)
Aromatic	45.4 % (59 of 130)	64.6 % (42 of 65)	26.6 % (17 of 64)	0.0 % (0 of 1)
Methyl	99.3 % (143 of 144)	98.6 % (71 of 72)	100.0 % (72 of 72)

1. entity 1

SGGALSYDTE ILTTEYGLLP IGDIVESETE CTVYSVDSDG STYTQGVAEW HDRGEQEVFE YCLEDGSTIR ATKDHKFMTT DGEMLPIDEI FESELDLMRV DSSGDTKIAT REYTGSEDVY DIGVESDHNF ALSDGFIASN

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

Release date

2022-01-10

Citation

The NMR structure of the engineered halophilic DnaE intein for segmental isotopic labeling using conditional protein splicing
Heikkinen, H.A., Aranko, A.S., Iwai, H.
J. Magn. Reson. (2022), 338, 107195-107195, PubMed 35398651 , DOI 10.1016/j.jmr.2022.107195 , Abstract

Related entities 1. DnaE intein, : 1 : 23 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-13C HSQC

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

2 2D 1H-15N HSQC

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

3 3D 1H-13C NOESY

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

4 3D 1H-15N NOESY

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

5 3D HCCH-COSY

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

6 3D HN(CO)CA

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

7 3D HNCACB

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

8 3D HN(CO)CA

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

9 3D HCCH-TOCSY

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

10 3D CBCA(CO)NH

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

11 3D HNCO

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

12 3D HNCA

Instrument

Bruker AVANCE III HD - 850 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 303 K, pH 6.0, Details 1.6 mM [20% 13C], [U-15N] DnaE intein, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	DnaE intein	[20% 13C], [U-15N]		1.6 mM
2	NaCl	natural abundance		2 M

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34695_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: bmr34695_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1551		98.6 (chain: 1, length: 140)
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: 140, Sequence coverage: 98.6%
- Total number of assignments
  - ¹H chemical shifts: 871
  - ¹³C chemical shifts: 547
  - ¹⁵N chemical shifts: 133
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- 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 SPLICING, conditional protein splicing, protein engineering, protein splicing, segmental isotopic labeling