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BMRB: 15009

2JVJ

Backbone and Side Chain 1H, 13C, 15N Chemical Shift Assignments for Sporulation Phosphotransferase F Mutant I90A

Authors

McLaughlin, P.D., Bobay, B.G., Regel, E.J., Thomspon, R.J., Hoch, J.A., Cavanagh, J.

Assembly

Spo0FI90A

Entity

1. Spo0FI90A (polymer, Thiol state: all free), 144 monomers, 16758.16 Da Detail

MMNEKILIVD DQYGIRILLN EVFNKEGYQT FQAANGLQAL DIVTKERPDL VLLDMKIPGM DGIEILKRMK VIDENIRVII MTAYGELDMA QESKELGALT HFAKPFDIDE IRDAVKKYLP LKSNLEHHHH HHLKSNLEHH HHHH

Formula weight

16758.16 Da

Source organism

Bacillus subtilis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.0 %, Completeness: 79.3 %, Completeness (bb): 87.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.3 % (1384 of 1746)	78.9 % (719 of 911)	77.9 % (532 of 683)	87.5 % (133 of 152)
Backbone	87.3 % (747 of 856)	87.3 % (254 of 291)	86.8 % (369 of 425)	88.6 % (124 of 140)
Sidechain	73.5 % (755 of 1027)	75.0 % (465 of 620)	71.1 % (281 of 395)	75.0 % (9 of 12)
Aromatic	32.3 % (40 of 124)	35.5 % (22 of 62)	29.0 % (18 of 62)
Methyl	85.8 % (151 of 176)	87.5 % (77 of 88)	84.1 % (74 of 88)

1. Spo0FI90A

MMNEKILIVD DQYGIRILLN EVFNKEGYQT FQAANGLQAL DIVTKERPDL VLLDMKIPGM DGIEILKRMK VIDENIRVII MTAYGELDMA QESKELGALT HFAKPFDIDE IRDAVKKYLP LKSNLEHHHH HHLKSNLEHH HHHH

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	Spo0FI90A	[U-99% 13C; U-99% 15N]	1.0 ~ 2.0 mM
2	TRIS	none	25 mM
3	potassium chloride	none	50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013292

Referencing offset: 2.04 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013292

Referencing offset: 2.04 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013292

Referencing offset: 0.09 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
¹H	water	protons	4.74 ppm	internal	direct	1.0
¹⁵N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013292

Referencing offset: -0.03 ppm, Outliers: 2 Detail

Release date

2007-05-08

Citation

Predominantly buried residues in the response regulator Spo0F influence specific sensor kinase recognition
McLaughlin, P.D., Bobay, B.G., Regel, E.J., Thomspon, R.J., Hoch, J.A., Cavanagh, J.
FEBS Lett. (2007), 581, 1425-1429, PubMed 17350627 , DOI 10.1016/j.febslet.2007.02.061 , Abstract

Related entities 1. Spo0FI90A, : 1 : 12 : 151 entities Detail

Interaction partners 1. Spo0FI90A, : 6 interactors Detail

More details for 6 interactors identified by 4 citations

Experiments performed 8 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15009_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: bmr15009_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1490		87.5 (chain: 1, length: 144)
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: 144, Sequence coverage: 87.5%
- Total number of assignments
  - ¹H chemical shifts: 840
  - ¹³C chemical shifts: 523
  - ¹⁵N chemical shifts: 127
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	911	684	75.1
¹³C chemical shifts	683	523	76.6
¹⁵N chemical shifts	157	127	80.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	291	252	86.6
¹³C chemical shifts	288	249	86.5
¹⁵N chemical shifts	140	119	85.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	620	432	69.7
¹³C chemical shifts	395	274	69.4
¹⁵N chemical shifts	17	8	47.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	95	78	82.1
¹³C chemical shifts	95	76	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	13	21.0
¹³C chemical shifts	62	8	12.9

Keywords mutant, Spo0F, sporulation, surface recognition

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Found 1 Document (0.498 seconds)

BMRB: 15009

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Spo0FI90A, : 1 : 12 : 151 entities Detail

Interaction partners 1. Spo0FI90A, : 6 interactors Detail

Experiments performed 8 experiments Detail

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Chemical shift validation 3 contents Detail