BMRB: 4991

Identification of a novel archaebacterial thioredoxin: Determination of function through structure.

Authors

Bhattacharyya, S., Habibi-Nazhad, B., Amegbey, G., Slupsky, C.M., Yee, A., Arrowsmith, C., Wishart, D.S.

Assembly

thioredoxin like protein

Entity

1. thioredoxin like protein (polymer, Thiol state: all free), 77 monomers, 8454.913 Da Detail

MMKIQIYGTG CANCQMLEKN AREAVKELGI DAEFEKIKEM DQILEAGLTA LPGLAVDGEL KIMGRVASKE EIKKILS

Formula weight

8454.913 Da

Source organism

Methanothermobacter thermautotrophicus

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 72.8 %, Completeness (bb): 83.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	72.8 % (653 of 897)	83.9 % (395 of 471)	52.2 % (180 of 345)	96.3 % (78 of 81)
Backbone	83.9 % (386 of 460)	96.9 % (155 of 160)	70.5 % (158 of 224)	96.1 % (73 of 76)
Sidechain	66.3 % (336 of 507)	77.2 % (240 of 311)	47.6 % (91 of 191)	100.0 % (5 of 5)
Aromatic	50.0 % (9 of 18)	100.0 % (9 of 9)	0.0 % (0 of 9)
Methyl	58.3 % (56 of 96)	77.1 % (37 of 48)	39.6 % (19 of 48)

1. thioredoxin from Methanobacterium thermoautotrophicum delta H

MMKIQIYGTG CANCQMLEKN AREAVKELGI DAEFEKIKEM DQILEAGLTA LPGLAVDGEL KIMGRVASKE EIKKILS

Show sample condition

Sample

Temperature 298 (±2) K, pH 7.0 (±0.3)

#	Name	Isotope labeling	Type	Concentration
1	thioredoxin from Methanobacterium thermoautotrophicum delta H	[U-13C; U-15N]		1.0 mM

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LACS Plot; CA

Referencing offset: -0.1 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.1 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 21 models in PDB: 1ILO, Strand ID: A Detail

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Coupling constant

57 J values in 1 lists
Field strength (¹H) 895 MHz, Temperature 298 (±2) K, pH 7.0 (±0.3) Detail

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Temperature 298 (±2) K, pH 7.0 (±0.3)

List #1 MtH895_J_values, Field strength (¹H) 895 MHz

Release date

2002-08-21

Citation

Identification of a novel archaebacterial thioredoxin: determination of function through structure
Bhattacharyya, S., Habibi-Nazhad, B., Amegbey, G., Slupsky, C.M., Yee, A., Arrowsmith, C., Wishart, D.S.
Biochemistry (2002), 41, 4760-4770, PubMed 11939770 , DOI: , Abstract

Related entities 1. thioredoxin like protein, : 1 : 1 : 11 entities Detail