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BMRB: 50957

8I0P

1H, 15 N, and 13 C resonance assignments of the SH3-like tandem domain of human KIN17 protein

Authors

Lourenco, I.O., Seixas, F.A.V., Almeida, F.C.L., Fossey, M.A., Souza, F.P., Caruso, I.P.

Assembly

SH3 tandem domain of KIN protein

Entity

1. SH3 tandem domain of KIN protein (polymer, Thiol state: not present), 127 monomers, 14322.45 Da Detail

GEEEKKRTAR TDYWLQPEII VKIITKKLGE KYHKKKAIVK EVIDKYTAVV KMIDSGDKLK LDQTHLETVI PAPGKRILVL NGGYRGNEGT LESINEKTFS ATIVIETGPL KGRRVEGIQY EDISKLA

Formula weight

14322.45 Da

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 96.9 %, Completeness (bb): 97.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	96.9 % (1489 of 1536)	96.6 % (777 of 804)	98.0 % (584 of 596)	94.1 % (128 of 136)
Backbone	97.6 % (736 of 754)	97.3 % (254 of 261)	97.6 % (361 of 370)	98.4 % (121 of 123)
Sidechain	96.7 % (868 of 898)	96.3 % (523 of 543)	98.8 % (338 of 342)	53.8 % (7 of 13)
Aromatic	100.0 % (70 of 70)	100.0 % (35 of 35)	100.0 % (34 of 34)	100.0 % (1 of 1)
Methyl	97.6 % (160 of 164)	97.6 % (80 of 82)	97.6 % (80 of 82)

1. entity 1

GEEEKKRTAR TDYWLQPEII VKIITKKLGE KYHKKKAIVK EVIDKYTAVV KMIDSGDKLK LDQTHLETVI PAPGKRILVL NGGYRGNEGT LESINEKTFS ATIVIETGPL KGRRVEGIQY EDISKLA

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

Release date

2021-06-01

Citation

¹H, ¹⁵N, and ¹³C resonance assignments of the SH3-like tandem domain of human KIN protein
Lourenco, I.O., Seixas, F.A.V., Fernandez, M.A., Almeida, F.C.L., Fossey, M.A., Souza, F.P., Caruso, I.P.
Biomol. NMR Assign. (2021), 15, 449-453, PubMed 34417717 , DOI 10.1007/s12104-021-10044-5 , Abstract

Related entities 1. SH3 tandem domain of KIN protein, : 1 : 2 : 4 : 20 entities Detail

Interaction partners 1. SH3 tandem domain of KIN protein, : 4 interactors Detail

More details for 4 interactors identified by 4 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

4 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

5 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

6 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

7 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

8 3D C(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

9 3D H(CCO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

10 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

11 3D (H)CCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

12 2D HBCBCGCDHD

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

13 2D HBCBCGCDCEHE

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

14 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	SH3 tandem domain of KIN protein	[U-13C; U-15N]		0.35 mM
2	sodium phosphate	natural abundance		50 mM
3	sodium chloride	natural abundance		100 mM
4	PMSF	natural abundance		0.5 mM
5	sodium azide	natural abundance		0.02 %
6	EDTA	natural abundance		3 mM
7	DSS	natural abundance		0.33 mM
8	D2O	natural abundance		5 %
9	H2O	natural abundance		95 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr50957_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: bmr50957_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1668		99.2 (chain: 1, length: 127)
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: 127, Sequence coverage: 99.2%
- Total number of assignments
  - ¹H chemical shifts: 954
  - ¹³C chemical shifts: 587
  - ¹⁵N chemical shifts: 127
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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 DNA/RNA-binding protein, NMR assignment, SH3-like tandem domain, human KIN17 protein