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BMRB: 28061

7DEE

Backbone and side-chain chemical shift assignments of a cellular FLICE-inhibitory protein (c-FLIPs)

Authors

Bai, Z., Liu, B., Ma, X.

Assembly

cellular FLICE-inhibitory protein short form

Entity

1. cellular FLICE-inhibitory protein short form (polymer, Thiol state: all free), 185 monomers, 21546.86 Da Detail

MGRSDSAEVI HQVEEALDTD EKEMLLFLCR DVAIDVVPPN VRDLLDILRE RGKLSVGDLA ELLYRVRRFD LLKRILKMDR KAVETHLLRN PHLVSDYRVL MAEIGEDLDK SDVSSLIGLM KDYMGRGKIS KEKSFLDLVV ELEKLNLVAP DQLDLLEKCL KNIHRIDLKT KIQKYKQLEH HHHHH

Formula weight

21546.86 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 83.3 %, Completeness (bb): 94.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	83.3 % (1876 of 2253)	82.6 % (970 of 1174)	82.6 % (724 of 876)	89.7 % (182 of 203)
Backbone	94.3 % (1039 of 1102)	93.8 % (350 of 373)	93.4 % (512 of 548)	97.8 % (177 of 181)
Sidechain	75.7 % (1006 of 1329)	77.4 % (620 of 801)	75.3 % (381 of 506)	22.7 % (5 of 22)
Aromatic	0.0 % (0 of 102)	0.0 % (0 of 51)	0.0 % (0 of 51)
Methyl	96.0 % (238 of 248)	97.6 % (121 of 124)	94.4 % (117 of 124)

1. c-FLPs

MGRSDSAEVI HQVEEALDTD EKEMLLFLCR DVAIDVVPPN VRDLLDILRE RGKLSVGDLA ELLYRVRRFD LLKRILKMDR KAVETHLLRN PHLVSDYRVL MAEIGEDLDK SDVSSLIGLM KDYMGRGKIS KEKSFLDLVV ELEKLNLVAP DQLDLLEKCL KNIHRIDLKT KIQKYKQLEH HHHHH

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	c-FLPs	[U-99% 13C; U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		60 mM
3	NaCl	natural abundance		50 mM

Release date

2020-01-15

Citation

Backbone and side-chain chemical shift assignments of a cellular FLICE-inhibitory protein (c-FLIP_S)
Bai, Z., Liu, B., Ma, X., Hu, K.
Biomol. NMR Assign. (2020), 14, 239-243, PubMed 32506385 , DOI 10.1007/s12104-020-09953-8 , Abstract

Related entities 1. cellular FLICE-inhibitory protein short form, : 1 : 1 : 6 : 35 entities Detail

Interaction partners 1. cellular FLICE-inhibitory protein short form, : 48 interactors Detail

More details for 48 interactors identified by 12 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	c-FLPs	[U-99% 13C; U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		60 mM
3	NaCl	natural abundance		50 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	c-FLPs	[U-99% 13C; U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		60 mM
3	NaCl	natural abundance		50 mM

3 3D HNCA

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	c-FLPs	[U-99% 13C; U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		60 mM
3	NaCl	natural abundance		50 mM

4 3D HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	c-FLPs	[U-99% 13C; U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		60 mM
3	NaCl	natural abundance		50 mM

5 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	c-FLPs	[U-99% 13C; U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		60 mM
3	NaCl	natural abundance		50 mM

6 3D HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	c-FLPs	[U-99% 13C; U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		60 mM
3	NaCl	natural abundance		50 mM

7 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	c-FLPs	[U-99% 13C; U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		60 mM
3	NaCl	natural abundance		50 mM

8 3D HCCH-COSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	c-FLPs	[U-99% 13C; U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		60 mM
3	NaCl	natural abundance		50 mM

9 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	c-FLPs	[U-99% 13C; U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		60 mM
3	NaCl	natural abundance		50 mM

10 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5

#	Name	Isotope labeling	Type	Concentration
1	c-FLPs	[U-99% 13C; U-99% 15N]		0.5 mM
2	sodium phosphate	natural abundance		60 mM
3	NaCl	natural abundance		50 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr28061_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: bmr28061_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	2104		96.2 (chain: 1, length: 185)
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: 185, Sequence coverage: 96.2%
- Total number of assignments
  - ¹H chemical shifts: 1208
  - ¹³C chemical shifts: 717
  - ¹⁵N chemical shifts: 179
- 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 Apoptosis, NMR Chemical shift assignments, c-FLIPS