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BMRB: 25702

2N5A

Structures of the reduced and oxidized state of the mutant D24A of yeast thioredoxin 1: insight into the mechanism for the closing of the water cavity

Authors

Iqbal, A., Moraes, A.H., Valente, A., Almeida, F.C.L.

Assembly

reduced form of thioredoxin 1 from Sacharomyces cerevisiae

Entity

1. reduced form of thioredoxin 1 from Sacharomyces cerevisiae (polymer, Thiol state: all free), 103 monomers, 11190.84 Da Detail

MVTQFKTASE FDSAIAQDKL VVVAFYATWC GPCKMIAPMI EKFSEQYPQA DFYKLDVDEL GDVAQKNEVS AMPTLLLFKN GKEVAKVVGA NPAAIKQAIA ANA

Formula weight

11190.84 Da

Source organism

Saccharomyces cerevisiae

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.1 %, Completeness: 81.1 %, Completeness (bb): 95.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.1 % (966 of 1191)	78.8 % (483 of 613)	81.2 % (381 of 469)	93.6 % (102 of 109)
Backbone	95.4 % (580 of 608)	94.6 % (194 of 205)	95.7 % (292 of 305)	95.9 % (94 of 98)
Sidechain	69.6 % (475 of 682)	69.6 % (284 of 408)	69.6 % (183 of 263)	72.7 % (8 of 11)
Aromatic	66.7 % (64 of 96)	66.7 % (32 of 48)	68.1 % (32 of 47)	0.0 % (0 of 1)
Methyl	75.4 % (95 of 126)	81.0 % (51 of 63)	69.8 % (44 of 63)

1. Yeast Thioredoxin 1 redcuced

MVTQFKTASE FDSAIAQDKL VVVAFYATWC GPCKMIAPMI EKFSEQYPQA DFYKLDVDEL GDVAQKNEVS AMPTLLLFKN GKEVAKVVGA NPAAIKQAIA ANA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	yTrx1D24A reduced	[U-100% 13C; U-100% 15N]	850 uM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.01 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.03 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 0.49 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2N5A, Strand ID: A Detail

Release date

2015-10-25

Citation

Structures of the reduced and oxidized state of the mutant D24A of yeast thioredoxin 1: insights into the mechanism for the closing of the water cavity
Iqbal, A., Moraes, A.H., Valente, A., Almeida, F.C.L.
J. Biomol. NMR (2015), 63, 417-423, PubMed 26482062 , DOI 10.1007/s10858-015-9996-6 , Abstract

Related entities 1. reduced form of thioredoxin 1 from Sacharomyces cerevisiae, : 1 : 1 : 5 : 265 entities Detail

Interaction partners 1. reduced form of thioredoxin 1 from Sacharomyces cerevisiae, : 15 interactors Detail

More details for 15 interactors identified by 5 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC