BMRBj - BMREntryMaster

Found 1 Document (0.679 seconds)

BMRB: 15475

2K14

1H, 13C, and 15N chemical shift assignments of the C-terminal domain of the protein YuaF from Bacillus subtilis

Authors

Moller, H.M., Walker, C.A., Hinderhofer, M., Witte, D.J., Boos, W.

Assembly

YuaF

Entity

1. YuaF (polymer, Thiol state: not present), 84 monomers, 8843.763 Da Detail

GSHMLESSAE ESLAYREDDL RGRLGKVITA VPVDGFGEVV IEGIGGTISK SAVSFDNQQI SYGTTVLVVD INNGVLSVTP HEPI

Formula weight

8843.763 Da

Source organism

Bacillus subtilis

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.5 %, Completeness (bb): 97.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.5 % (865 of 906)	92.8 % (428 of 461)	98.9 % (355 of 359)	95.3 % (82 of 86)
Backbone	97.6 % (486 of 498)	97.7 % (171 of 175)	98.3 % (238 of 242)	95.1 % (77 of 81)
Sidechain	94.0 % (453 of 482)	89.9 % (257 of 286)	100.0 % (191 of 191)	100.0 % (5 of 5)
Aromatic	81.8 % (36 of 44)	63.6 % (14 of 22)	100.0 % (22 of 22)
Methyl	100.0 % (114 of 114)	100.0 % (57 of 57)	100.0 % (57 of 57)

1. YuaF

GSHMLESSAE ESLAYREDDL RGRLGKVITA VPVDGFGEVV IEGIGGTISK SAVSFDNQQI SYGTTVLVVD INNGVLSVTP HEPI

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	YuaF	[U-13C; U-15N]	0.9 mM
2	TRIS	natural abundance	50 mM
3	sodium chloride	natural abundance	300 mM
4	sodium azide	natural abundance	4 mM
5	H2O	natural abundance	95 %
6	D2O		5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	YuaF	[U-13C; U-15N]	0.9 mM
8	TRIS	natural abundance	50 mM
9	sodium chloride	natural abundance	300 mM
10	sodium azide	natural abundance	4 mM
11	D2O		100 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
12	YuaF	[U-15N]	1 mM
13	TRIS	natural abundance	50 mM
14	sodium chloride	natural abundance	300 mM
15	sodium azide	natural abundance	4 mM
16	H2O	natural abundance	95 %
17	D2O		5 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: -0.59 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: -0.59 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 0.24 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: -0.73 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K14, Strand ID: A Detail

Release date

2008-08-17

Citation

Solution structure of the soluble domain of the NfeD protein YuaF from Bacillus subtilis
Walker, C.A., Hinderhofer, M., Witte, D.J., Boos, W., Moeller, H.M.
J. Biomol. NMR (2008), 42, 69-76, PubMed 18696230 , DOI 10.1007/s10858-008-9261-3 , Abstract

Related entities 1. YuaF, : 1 : 1 : 14 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	YuaF	[U-13C; U-15N]	0.9 mM
2	TRIS	natural abundance	50 mM
3	sodium chloride	natural abundance	300 mM
4	sodium azide	natural abundance	4 mM
5	H2O	natural abundance	95 %
6	D2O		5 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	YuaF	[U-13C; U-15N]	0.9 mM
8	TRIS	natural abundance	50 mM
9	sodium chloride	natural abundance	300 mM
10	sodium azide	natural abundance	4 mM
11	D2O		100 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	YuaF	[U-13C; U-15N]	0.9 mM
2	TRIS	natural abundance	50 mM
3	sodium chloride	natural abundance	300 mM
4	sodium azide	natural abundance	4 mM
5	H2O	natural abundance	95 %
6	D2O		5 %

4 3D HNCO

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	YuaF	[U-13C; U-15N]	0.9 mM
2	TRIS	natural abundance	50 mM
3	sodium chloride	natural abundance	300 mM
4	sodium azide	natural abundance	4 mM
5	H2O	natural abundance	95 %
6	D2O		5 %

5 3D HN(CA)CO

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	YuaF	[U-13C; U-15N]	0.9 mM
2	TRIS	natural abundance	50 mM
3	sodium chloride	natural abundance	300 mM
4	sodium azide	natural abundance	4 mM
5	H2O	natural abundance	95 %
6	D2O		5 %

6 3D HNCACB

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
1	YuaF	[U-13C; U-15N]	0.9 mM
2	TRIS	natural abundance	50 mM
3	sodium chloride	natural abundance	300 mM
4	sodium azide	natural abundance	4 mM
5	H2O	natural abundance	95 %
6	D2O		5 %

7 3D 1H-15N TOCSY

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
12	YuaF	[U-15N]	1 mM
13	TRIS	natural abundance	50 mM
14	sodium chloride	natural abundance	300 mM
15	sodium azide	natural abundance	4 mM
16	H2O	natural abundance	95 %
17	D2O		5 %

8 3D 1H-15N NOESY

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
12	YuaF	[U-15N]	1 mM
13	TRIS	natural abundance	50 mM
14	sodium chloride	natural abundance	300 mM
15	sodium azide	natural abundance	4 mM
16	H2O	natural abundance	95 %
17	D2O		5 %

9 3D HCCH-COSY

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	YuaF	[U-13C; U-15N]	0.9 mM
8	TRIS	natural abundance	50 mM
9	sodium chloride	natural abundance	300 mM
10	sodium azide	natural abundance	4 mM
11	D2O		100 %

10 3D HCCH-TOCSY

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	YuaF	[U-13C; U-15N]	0.9 mM
8	TRIS	natural abundance	50 mM
9	sodium chloride	natural abundance	300 mM
10	sodium azide	natural abundance	4 mM
11	D2O		100 %

11 3D (H)CCH-TOCSY

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	YuaF	[U-13C; U-15N]	0.9 mM
8	TRIS	natural abundance	50 mM
9	sodium chloride	natural abundance	300 mM
10	sodium azide	natural abundance	4 mM
11	D2O		100 %

12 3D 1H-13C NOESY

Instrument

Bruker Avance III - 800 MHz TCI-H/C/N triple resonance cryogenic probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	YuaF	[U-13C; U-15N]	0.9 mM
8	TRIS	natural abundance	50 mM
9	sodium chloride	natural abundance	300 mM
10	sodium azide	natural abundance	4 mM
11	D2O		100 %

13 (HB)CB(CGCD)HD

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	YuaF	[U-13C; U-15N]	0.9 mM
8	TRIS	natural abundance	50 mM
9	sodium chloride	natural abundance	300 mM
10	sodium azide	natural abundance	4 mM
11	D2O		100 %

14 (HB)CB(CGCDCE)HE

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	YuaF	[U-13C; U-15N]	0.9 mM
8	TRIS	natural abundance	50 mM
9	sodium chloride	natural abundance	300 mM
10	sodium azide	natural abundance	4 mM
11	D2O		100 %

15 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	YuaF	[U-13C; U-15N]	0.9 mM
8	TRIS	natural abundance	50 mM
9	sodium chloride	natural abundance	300 mM
10	sodium azide	natural abundance	4 mM
11	D2O		100 %

16 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance DRX - 600 MHz TXI-H/C/N triple resonance probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 280 K, pH 7.5

#	Name	Isotope labeling	Concentration
7	YuaF	[U-13C; U-15N]	0.9 mM
8	TRIS	natural abundance	50 mM
9	sodium chloride	natural abundance	300 mM
10	sodium azide	natural abundance	4 mM
11	D2O		100 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15475_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: bmr15475_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	990		100.0 (chain: 1, length: 84)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 84, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 544
  - ¹³C chemical shifts: 362
  - ¹⁵N chemical shifts: 84
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
16	ARG	CZ	160.5
21	ARG	CZ	160.8
57	ASN	CG	179.3
58	GLN	CD	182.1
59	GLN	CD	181.5
72	ASN	CG	178.0
73	ASN	CG	179.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	461	428	92.8
¹³C chemical shifts	359	355	98.9
¹⁵N chemical shifts	89	84	94.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	175	171	97.7
¹³C chemical shifts	168	164	97.6
¹⁵N chemical shifts	81	77	95.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	286	257	89.9
¹³C chemical shifts	191	191	100.0
¹⁵N chemical shifts	8	7	87.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	58	58	100.0
¹³C chemical shifts	58	58	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	14	63.6
¹³C chemical shifts	22	22	100.0

Keywords Bacillus subtilis, cellular stress, OB-fold, reggie/flotillin, SPFH superfamily, YuaF

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.679 seconds)

BMRB: 15475

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. YuaF, : 1 : 1 : 14 entities Detail

Experiments performed 16 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail