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BMRB: 34586

7BEV

NMR structure of an optimized version of the first TPR domain of the human SPAG1 protein

Authors

Dermouche, S., Chagot, M.E., Quinternet, M.

Assembly

Sperm-associated antigen 1

Entity

1. Sperm-associated antigen 1 (polymer), 126 monomers, 14504.08 Da Detail

GPHMDYLATR EKEKGNEAFN SGDYEEAVMY YTRSISALPT VVAYNNRAQA YIKLQNWNSA EQDCEKVLEL EPGNVKALLR RATAYKHQNK LREAREDLKK VLKVEPDNDL AKKTLSEVER DLKNSE

Formula weight

14504.08 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.4 %, Completeness (bb): 97.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.4 % (1459 of 1498)	98.5 % (773 of 785)	96.1 % (546 of 568)	96.6 % (140 of 145)
Backbone	97.2 % (727 of 748)	98.0 % (247 of 252)	96.3 % (360 of 374)	98.4 % (120 of 122)
Sidechain	96.4 % (841 of 872)	97.2 % (518 of 533)	95.9 % (303 of 316)	87.0 % (20 of 23)
Aromatic	86.0 % (74 of 86)	93.0 % (40 of 43)	78.6 % (33 of 42)	100.0 % (1 of 1)
Methyl	100.0 % (128 of 128)	100.0 % (64 of 64)	100.0 % (64 of 64)

1. entity 1

GPHMDYLATR EKEKGNEAFN SGDYEEAVMY YTRSISALPT VVAYNNRAQA YIKLQNWNSA EQDCEKVLEL EPGNVKALLR RATAYKHQNK LREAREDLKK VLKVEPDNDL AKKTLSEVER DLKNSE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

Release date

2021-01-06

Citation

Optimizing the First TPR Domain of the Human SPAG1 Protein Provides Insight into the HSP70 and HSP90 Binding Properties
Dermouche, S., Chagot, M., Manival, X., Quinternet, M.
Biochemistry (2021), 60, 2349-2363, PubMed 33739091 , DOI 10.1021/acs.biochem.1c00052 , Abstract

Related entities 1. Sperm-associated antigen 1, : 1 : 303 entities Detail

Interaction partners 1. Sperm-associated antigen 1, : 7 interactors Detail

More details for 7 interactors identified by 1 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

4 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

5 3D HCCH-COSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

6 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

7 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

8 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

9 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

10 2D NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

11 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

12 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

13 3D HNHA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

14 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.4, Details 1 mM [U-13C; U-15N] SPAG1-TPR1, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	SPAG1-TPR1	[U-13C; U-15N]		1 (±0.1) mM
2	NaPi	natural abundance		10 mM
3	NaCl	natural abundance		150 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34586_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: bmr34586_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1608		100.0 (chain: 1, length: 126)
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: 126, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 915
  - ¹³C chemical shifts: 551
  - ¹⁵N chemical shifts: 142
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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

Keywords ASSEMBLY FACTOR, CHAPERONE, CILIA, DYNEIN, EEVD, HSP70, HSP90, MD SIMULATION, PEPTIDE BINDING PROTEIN, R2SP, R2TP, RUVBL