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BMRB: 50793

7O3B

ular mechanisms underlying the role of the centriolar CEP164-TTBK2 complex in ciliopathies

Authors

Rosa e Silva, I., Bino, L., Johnson, C.M., Rutherford, T.J., Neuhaus, D., Andreeva, A., Cajanek, L., van Breugel, M.

Assembly

CEP164 N-terminal domain

Entity

1. CEP164 N-terminal domain (polymer, Thiol state: all free), 109 monomers, 12527.97 Da Detail

MAGRPLRIGD QLVLEEDYDE TYIPSEQEIL EFAREIGIDP IKEPELMWLA REGIVAPLPG EWKPCQDITG DIYYFNFANG QSMWDHPCDE HYRSLVIQER AKLSTSGAI

Formula weight

12527.97 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.6 %, Completeness (bb): 98.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.6 % (1170 of 1292)	93.2 % (626 of 672)	87.7 % (441 of 503)	88.0 % (103 of 117)
Backbone	98.6 % (629 of 638)	97.2 % (212 of 218)	99.4 % (317 of 319)	99.0 % (100 of 101)
Sidechain	85.0 % (642 of 755)	91.2 % (414 of 454)	78.9 % (225 of 285)	18.8 % (3 of 16)
Aromatic	50.0 % (57 of 114)	94.7 % (54 of 57)	0.0 % (0 of 54)	100.0 % (3 of 3)
Methyl	96.4 % (108 of 112)	94.6 % (53 of 56)	98.2 % (55 of 56)

1. entity 1

MAGRPLRIGD QLVLEEDYDE TYIPSEQEIL EFAREIGIDP IKEPELMWLA REGIVAPLPG EWKPCQDITG DIYYFNFANG QSMWDHPCDE HYRSLVIQER AKLSTSGAI

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	CEP164 N-terminal domain	[U-100% 13C; U-100% 15N]		120 uM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		125 mM
4	DTT	natural abundance		4 mM
5	complete protease inhibitor cocktail, EDTA free	natural abundance		0.4 tablet/100mL

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details pH 7.4

#	Name	Isotope labeling	Type	Concentration
6	CEP164 N-terminal domain	[U-100% 15N]		500 uM
7	sodium phosphate	natural abundance		25 mM
8	sodium chloride	natural abundance		125 mM
9	DTT	natural abundance		4 mM
10	complete protease inhibitor cocktail, EDTA free	natural abundance		0.4 tablet/100mL

Release date

2021-02-24

Citation

Molecular mechanisms underlying the role of the centriolar CEP164-TTBK2 complex in ciliopathies
Rosa e Silva, I., Bino, L., Johnson, C.M., Rutherford, T.J., Neuhaus, D., Andreeva, A., Cajanek, L., van Breugel, M.
Structure (2021), 30, 114-128, PubMed 34499853 , DOI 10.1016/j.str.2021.08.007 , Abstract

Related entities 1. CEP164 N-terminal domain, : 1 : 5 : 17 entities Detail

Interaction partners 1. CEP164 N-terminal domain, : 21 interactors Detail

More details for 21 interactors identified by 3 citations

Experiments performed 6 experiments Detail

1 2D 1H-15N TROSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	CEP164 N-terminal domain	[U-100% 13C; U-100% 15N]		120 uM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		125 mM
4	DTT	natural abundance		4 mM
5	complete protease inhibitor cocktail, EDTA free	natural abundance		0.4 tablet/100mL

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	CEP164 N-terminal domain	[U-100% 13C; U-100% 15N]		120 uM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		125 mM
4	DTT	natural abundance		4 mM
5	complete protease inhibitor cocktail, EDTA free	natural abundance		0.4 tablet/100mL

3 3D HN(CA)CO

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	CEP164 N-terminal domain	[U-100% 13C; U-100% 15N]		120 uM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		125 mM
4	DTT	natural abundance		4 mM
5	complete protease inhibitor cocktail, EDTA free	natural abundance		0.4 tablet/100mL

4 3D HNCACB

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	CEP164 N-terminal domain	[U-100% 13C; U-100% 15N]		120 uM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		125 mM
4	DTT	natural abundance		4 mM
5	complete protease inhibitor cocktail, EDTA free	natural abundance		0.4 tablet/100mL

5 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	CEP164 N-terminal domain	[U-100% 13C; U-100% 15N]		120 uM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		125 mM
4	DTT	natural abundance		4 mM
5	complete protease inhibitor cocktail, EDTA free	natural abundance		0.4 tablet/100mL

6 2D (HB)CB(CGCD)HD

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4, Details pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	CEP164 N-terminal domain	[U-100% 13C; U-100% 15N]		120 uM
2	sodium phosphate	natural abundance		25 mM
3	sodium chloride	natural abundance		125 mM
4	DTT	natural abundance		4 mM
5	complete protease inhibitor cocktail, EDTA free	natural abundance		0.4 tablet/100mL

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50793_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: bmr50793_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1299		100.0 (chain: 1, length: 109)
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: 109, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 755
  - ¹³C chemical shifts: 441
  - ¹⁵N chemical shifts: 103
- 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