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BMRB: 5351

1HB6

Backbone HN, N, Ca, Cb and CO assignments of unfolded ACBP

Authors

Assembly

acyl-coenzyme A binding protein

Entity

1. acyl-coenzyme A binding protein (polymer, Thiol state: all other bound), 86 monomers, 9903.124 Da Detail

SQAEFDKAAE EVKHLKTKPA DEEMLFIYSH YKQATVGDIN TERPGMLDFK GKAKWDAWNE LKGTSKEDAM KAYIDKVEEL KKKYGC

2. MTN (non-polymer), 264.385 Da

Total weight

10167.509 Da

Max. entity weight

9903.124 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 93.0 %, Completeness: 40.1 %, Completeness (bb): 75.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	40.1 % (416 of 1037)	18.9 % (103 of 546)	58.1 % (233 of 401)	88.9 % (80 of 90)
Backbone	75.6 % (387 of 512)	48.0 % (84 of 175)	88.1 % (223 of 253)	95.2 % (80 of 84)
Sidechain	15.8 % (96 of 606)	5.1 % (19 of 371)	33.6 % (77 of 229)	0.0 % (0 of 6)
Aromatic	0.0 % (0 of 94)	0.0 % (0 of 47)	0.0 % (0 of 45)	0.0 % (0 of 2)
Methyl	28.6 % (20 of 70)	17.1 % (6 of 35)	40.0 % (14 of 35)

1. acyl-coenzyme A binding protein

SQAEFDKAAE EVKHLKTKPA DEEMLFIYSH YKQATVGDIN TERPGMLDFK GKAKWDAWNE LKGTSKEDAM KAYIDKVEEL KKKYGC

Show sample condition

Sample

Temperature 298 (±1) K, pH 5.3 (±0.1), Details The sample contained 1.9 M guanidinium chloride to unfold the protein

#	Name	Isotope labeling	Type	Concentration
1	acyl-coenzyme A binding protein	[U-13C; U-15N]		1.5 mM
2	guanidinium chloride	natural abundance		1.9 M

LACS Plot; CA

Referencing offset: -0.27 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.27 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.0 ppm, Outliers: 1 Detail

Release date

2003-01-28

Citation

Transient structure formation in unfolded acyl-coenzyme A-binding protein observed by site-directed spin labelling
Teilum, K., Kragelund, B.B., Poulsen, F.M.
J. Mol. Biol. (2002), 324, 349-357, PubMed 12441112 , DOI: , Abstract

Related entities 1. acyl-coenzyme A binding protein, : 1 : 6 : 134 entities Detail

Interaction partners 1. acyl-coenzyme A binding protein, : 14 interactors Detail

More details for 14 interactors identified by 3 citations

Experiments performed 7 experiments Detail

1 1H-15N HSQC

Instrument

na unknown - na MHz spectrometer information not available

Sample

State isotropic, Temperature 298 (±1) K, pH 5.3 (±0.1), Details The sample contained 1.9 M guanidinium chloride to unfold the protein

#	Name	Isotope labeling	Type	Concentration
1	acyl-coenzyme A binding protein	[U-13C; U-15N]		1.5 mM
2	guanidinium chloride	natural abundance		1.9 M

2 HNCO

Instrument

na unknown - na MHz spectrometer information not available

Sample

State isotropic, Temperature 298 (±1) K, pH 5.3 (±0.1), Details The sample contained 1.9 M guanidinium chloride to unfold the protein

#	Name	Isotope labeling	Type	Concentration
1	acyl-coenzyme A binding protein	[U-13C; U-15N]		1.5 mM
2	guanidinium chloride	natural abundance		1.9 M

3 HN(CA)CO

Instrument

na unknown - na MHz spectrometer information not available

Sample

State isotropic, Temperature 298 (±1) K, pH 5.3 (±0.1), Details The sample contained 1.9 M guanidinium chloride to unfold the protein

#	Name	Isotope labeling	Type	Concentration
1	acyl-coenzyme A binding protein	[U-13C; U-15N]		1.5 mM
2	guanidinium chloride	natural abundance		1.9 M

4 HN(CO)CA

Instrument

na unknown - na MHz spectrometer information not available

Sample

State isotropic, Temperature 298 (±1) K, pH 5.3 (±0.1), Details The sample contained 1.9 M guanidinium chloride to unfold the protein

#	Name	Isotope labeling	Type	Concentration
1	acyl-coenzyme A binding protein	[U-13C; U-15N]		1.5 mM
2	guanidinium chloride	natural abundance		1.9 M

5 HNCA

Instrument

na unknown - na MHz spectrometer information not available

Sample

State isotropic, Temperature 298 (±1) K, pH 5.3 (±0.1), Details The sample contained 1.9 M guanidinium chloride to unfold the protein

#	Name	Isotope labeling	Type	Concentration
1	acyl-coenzyme A binding protein	[U-13C; U-15N]		1.5 mM
2	guanidinium chloride	natural abundance		1.9 M

6 HNCACB

Instrument

na unknown - na MHz spectrometer information not available

Sample

State isotropic, Temperature 298 (±1) K, pH 5.3 (±0.1), Details The sample contained 1.9 M guanidinium chloride to unfold the protein

#	Name	Isotope labeling	Type	Concentration
1	acyl-coenzyme A binding protein	[U-13C; U-15N]		1.5 mM
2	guanidinium chloride	natural abundance		1.9 M

7 CBCA(CO)NH

Instrument

na unknown - na MHz spectrometer information not available

Sample

State isotropic, Temperature 298 (±1) K, pH 5.3 (±0.1), Details The sample contained 1.9 M guanidinium chloride to unfold the protein

#	Name	Isotope labeling	Type	Concentration
1	acyl-coenzyme A binding protein	[U-13C; U-15N]		1.5 mM
2	guanidinium chloride	natural abundance		1.9 M

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5351_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:86:CYS:SG	2:1:MTN:SG	oxidized, CA 57.1, CB 42.85 ppm	unknown	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr5351_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	set_1	OK	383		93.0 (chain: 1, length: 86)
1	Chemical shift references	chemical_shift_reference	OK	1		No information

Assigned chemical shifts

Saveframe: set_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 86, Sequence coverage: 93.0%
- Total number of assignments
  - ¹H chemical shifts: 80
  - ¹⁵N chemical shifts: 80
  - ¹³C chemical shifts: 223
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1