BMRBj - BMREntryMaster

Found 1 Document (0.534 seconds)

BMRB: 34610

7NT7

Solution structure of toll like receptor 1 (TLR1) TIR domain

Authors

Mineev, K.S., Lushpa, V.A., Goncharuk, M.V.

Assembly

Toll-like receptor 1 (E.C.3.2.2.6)

Entity

1. Toll-like receptor 1 (E.C.3.2.2.6) (polymer), 163 monomers, 19176.90 Da Detail

SNIPLEELQR NLQFHAFISY SGHDSFWVKN ELLPNLEKEG MQICLHERNF VPGKSIVENI ITCIEKSYKS IFVLSPNFVQ SEWCHYELYF AHHNLFHEGS NSLILILLEP IPQYSIPSSY HKLKSLMARR TYLEWPKEKS KRGLFWANLR AAINIKLTEQ AKK

Formula weight

19176.9 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.2 %, Completeness: 92.2 %, Completeness (bb): 93.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.2 % (1895 of 2056)	93.9 % (1009 of 1074)	90.8 % (726 of 800)	87.9 % (160 of 182)
Backbone	93.6 % (900 of 962)	92.9 % (300 of 323)	94.8 % (459 of 484)	91.0 % (141 of 155)
Sidechain	90.0 % (1127 of 1252)	92.7 % (696 of 751)	87.1 % (413 of 474)	66.7 % (18 of 27)
Aromatic	70.4 % (159 of 226)	85.0 % (96 of 113)	54.1 % (59 of 109)	100.0 % (4 of 4)
Methyl	97.7 % (172 of 176)	97.7 % (86 of 88)	97.7 % (86 of 88)

1. entity 1

SNIPLEELQR NLQFHAFISY SGHDSFWVKN ELLPNLEKEG MQICLHERNF VPGKSIVENI ITCIEKSYKS IFVLSPNFVQ SEWCHYELYF AHHNLFHEGS NSLILILLEP IPQYSIPSSY HKLKSLMARR TYLEWPKEKS KRGLFWANLR AAINIKLTEQ AKK

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.3, Details 0.8 mM [U-100% 13C; U-100% 15N] TLR1-TIR, 20 mM PIPES, 25 mM sodium chloride, 3 mM TCEP, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	TLR1-TIR	[U-100% 13C; U-100% 15N]	0.8 mM
2	PIPES	natural abundance	20 mM
3	sodium chloride	natural abundance	25 mM
4	TCEP	natural abundance	3 mM

Release date

2021-03-30

Citation

Modulation of Toll-like receptor 1 intracellular domain structure and activity by Zn²⁺ ions
Lushpa, V.A., Goncharuk, M.V., Lin, C., Zalevsky, A.O., Talyzina, I.A., Luginina, A.P., Vakhrameev, D.D., Shevtsov, M.B., Goncharuk, S.A., Arseniev, A.S., Borshchevskiy, V.I., Wang, X., Mineev, K.S.
Commun. Biol. (2021), 4, 1003-1003, PubMed 34429510 , DOI 10.1038/s42003-021-02532-0 , Abstract

Related entities 1. Toll-like receptor 1 (E.C.3.2.2.6), : 1 : 5 : 177 entities Detail

Interaction partners 1. Toll-like receptor 1 (E.C.3.2.2.6), : 4 interactors Detail

More details for 4 interactors identified by 2 citations

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.3, Details 0.8 mM [U-100% 13C; U-100% 15N] TLR1-TIR, 20 mM PIPES, 25 mM sodium chloride, 3 mM TCEP, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	TLR1-TIR	[U-100% 13C; U-100% 15N]	0.8 mM
2	PIPES	natural abundance	20 mM
3	sodium chloride	natural abundance	25 mM
4	TCEP	natural abundance	3 mM

2 3D HNCACB

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TLR1-TIR	[U-100% 13C; U-100% 15N]	0.8 mM
2	PIPES	natural abundance	20 mM
3	sodium chloride	natural abundance	25 mM
4	TCEP	natural abundance	3 mM

3 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TLR1-TIR	[U-100% 13C; U-100% 15N]	0.8 mM
2	PIPES	natural abundance	20 mM
3	sodium chloride	natural abundance	25 mM
4	TCEP	natural abundance	3 mM

4 3D HCCH-COSY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TLR1-TIR	[U-100% 13C; U-100% 15N]	0.8 mM
2	PIPES	natural abundance	20 mM
3	sodium chloride	natural abundance	25 mM
4	TCEP	natural abundance	3 mM

5 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TLR1-TIR	[U-100% 13C; U-100% 15N]	0.8 mM
2	PIPES	natural abundance	20 mM
3	sodium chloride	natural abundance	25 mM
4	TCEP	natural abundance	3 mM

6 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TLR1-TIR	[U-100% 13C; U-100% 15N]	0.8 mM
2	PIPES	natural abundance	20 mM
3	sodium chloride	natural abundance	25 mM
4	TCEP	natural abundance	3 mM

7 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	TLR1-TIR	[U-100% 13C; U-100% 15N]	0.8 mM
2	PIPES	natural abundance	20 mM
3	sodium chloride	natural abundance	25 mM
4	TCEP	natural abundance	3 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34610_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: bmr34610_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	2081		97.5 (chain: 1, length: 163)
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: 163, Sequence coverage: 97.5%
- Total number of assignments
  - ¹H chemical shifts: 1192
  - ¹³C chemical shifts: 729
  - ¹⁵N chemical shifts: 160
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1074	1012	94.2
¹³C chemical shifts	800	729	91.1
¹⁵N chemical shifts	182	160	87.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	323	305	94.4
¹³C chemical shifts	326	310	95.1
¹⁵N chemical shifts	155	142	91.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	751	707	94.1
¹³C chemical shifts	474	419	88.4
¹⁵N chemical shifts	27	18	66.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	90	90	100.0
¹³C chemical shifts	90	90	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	113	100	88.5
¹³C chemical shifts	109	61	56.0
¹⁵N chemical shifts	4	4	100.0

Keywords PROTEIN, SIGNALING PROTEIN, TIR domain, TLR, TLR1, toll like receptor

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Found 1 Document (0.534 seconds)

BMRB: 34610

Sample

Related entities 1. Toll-like receptor 1 (E.C.3.2.2.6), : 1 : 5 : 177 entities Detail

Interaction partners 1. Toll-like receptor 1 (E.C.3.2.2.6), : 4 interactors Detail

Experiments performed 7 experiments Detail

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Chemical shift validation 3 contents Detail