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BMRB: 26061

2NDH

NMR solution structure of MAL/TIRAP TIR domain

Authors

Lavrencic, P., Mobli, M.

Assembly

MAL/TIRAP TIR domain

Entity

1. MAL/TIRAP TIR domain (polymer), 143 monomers, 15712.75 Da Detail

SSRWSKDYDV CVCHSEEDLV AAQDLVSYLE GSTASLRAFL QLRDATPGGA IVSELCQALS SSHCRVLLIT PGFLQDPWCK YQMLQALTEA PGAEGCTIPL LSGLSRAAYP PELRFMYYVD GRGPDGGFRQ VKEAVMRYLQ TLS

Formula weight

15712.75 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 85.3 %, Completeness: 68.7 %, Completeness (bb): 78.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	68.7 % (1107 of 1611)	67.9 % (564 of 831)	68.7 % (436 of 635)	73.8 % (107 of 145)
Backbone	78.9 % (664 of 842)	77.2 % (223 of 289)	80.9 % (338 of 418)	76.3 % (103 of 135)
Sidechain	61.5 % (554 of 901)	62.9 % (341 of 542)	59.9 % (209 of 349)	40.0 % (4 of 10)
Aromatic	31.3 % (40 of 128)	39.1 % (25 of 64)	22.6 % (14 of 62)	50.0 % (1 of 2)
Methyl	78.4 % (127 of 162)	85.2 % (69 of 81)	71.6 % (58 of 81)

1. entity

SSRWSKDYDV CVCHSEEDLV AAQDLVSYLE GSTASLRAFL QLRDATPGGA IVSELCQALS SSHCRVLLIT PGFLQDPWCK YQMLQALTEA PGAEGCTIPL LSGLSRAAYP PELRFMYYVD GRGPDGGFRQ VKEAVMRYLQ TLS

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 291 K, pH 8.6

#	Name	Isotope labeling	Concentration
1	entity	[U-99% 13C; U-99% 15N]	300 uM
2	TRIS	natural abundance	20 mM
3	D2O	natural abundance	5 %
4	sodium chloride	natural abundance	200 mM
5	H2O	natural abundance	95 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: 0.19 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: 0.19 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.773 ppm	internal	indirect	0.2514495
¹H	water	protons	4.773 ppm	internal	direct	1.0
¹⁵N	water	protons	4.773 ppm	internal	indirect	0.1013291

Referencing offset: 0.29 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2NDH, Strand ID: A Detail

Release date

2016-05-31

Citation

Solution structure of the TLR adaptor MAL/TIRAP reveals an intact BB loop and supports MAL Cys91 glutathionylation for signaling
Hughes, M.M., Lavrencic, P., Coll, R.C., Ve, T., Ryan, D.G., Williams, N.C., Menon, D., Mansell, A., Board, P.G., Mobli, M., Kobe, B., O'Neill, L.
Proc. Natl. Acad. Sci. U. S. A. (2017), 114, E6480-E6489, PubMed 28739909 , DOI 10.1073/pnas.1701868114 , Abstract

Related entities 1. MAL/TIRAP TIR domain, : 1 : 9 : 45 entities Detail

Interaction partners 1. MAL/TIRAP TIR domain, : 32 interactors Detail

More details for 32 interactors identified by 13 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC