BMRB: 5308

Solution Structure and Dynamics of the Human-Escherichia coli Thioredoxin Chimera: Insights into Thermodynamic Stability

Authors

Dangi, B., Dubrodumov, A.V., Louis, J.M., Gronenborn, A.M.

Assembly

Human-E.coli chimeric thioredoxin

Entity

1. Human-E.coli chimeric thioredoxin (polymer, Thiol state: all disulfide bound), 107 monomers, 11680.41 Da Detail

MVKQIESKTA FQEALDAAGD KLVVVDFSAT WCGPCKMIKP FFHSLSEKYS NVIFLEVDVD DAQDVAPKYG IRGIPTLLLF KNGEVAATKV GALSKGQLKE FLDANLV

Formula weight

11680.41 Da

Entity Connection

disulfide 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS32:SG	1:CYS35:SG

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

see publication

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.1 %, Completeness: 87.8 %, Completeness (bb): 95.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.8 % (1096 of 1249)	84.6 % (544 of 643)	89.7 % (444 of 495)	97.3 % (108 of 111)
Backbone	95.6 % (606 of 634)	95.9 % (208 of 217)	94.9 % (298 of 314)	97.1 % (100 of 103)
Sidechain	82.1 % (587 of 715)	78.9 % (336 of 426)	86.5 % (243 of 281)	100.0 % (8 of 8)
Aromatic	59.8 % (61 of 102)	62.7 % (32 of 51)	56.0 % (28 of 50)	100.0 % (1 of 1)
Methyl	90.6 % (125 of 138)	92.8 % (64 of 69)	88.4 % (61 of 69)

1. thioredoxin

MVKQIESKTA FQEALDAAGD KLVVVDFSAT WCGPCKMIKP FFHSLSEKYS NVIFLEVDVD DAQDVAPKYG IRGIPTLLLF KNGEVAATKV GALSKGQLKE FLDANLV

Show sample condition

Sample

Temperature 308 (±1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	thioredoxin	[U-95% 13C; U-95% 15N]		1.0 ~ 2.0 mM

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LACS Plot; CA

Referencing offset: -0.28 ppm, Outliers: 6 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: -0.28 ppm, Outliers: 6 Detail

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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: 3 Detail

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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; CO

Referencing offset: 0.14 ppm, Outliers: 3 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: 1M7T, Strand ID: A Detail

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Release date

2002-03-03

Citation

Solution structure and dynamics of the human-Escherichia coli thioredoxin chimera: insights into thermodynamic stability
Dangi, B., Dubrodumov, A.V., Louis, J.M., Gronenborn, A.M.
Biochemistry (2002), 41, 9376-9388, PubMed 12135359 , DOI: , Abstract

Related entities 1. Human-E.coli chimeric thioredoxin, : 1 : 225 entities Detail

Experiments performed 7 experiments Detail