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BMRB: 6318


6318
1XFL
Solution structure of thioredoxin h1 from Arabidopsis thaliana
Authors
Peterson, F.C., Lytle, B.L., Sampath, S., Vinarov, D.A., Tyler, E.M., Shahan, M., Markley, J.L., Volkman, B.F.
Assembly
Thioredoxin h1
Entity
1. Thioredoxin h1 (polymer, Thiol state: free and disulfide bound), 124 monomers, 13925.93 Da Detail

MGHHHHHHLE MASEEGQVIA CHTVETWNEQ LQKANESKTL VVVDFTASWC GPCRFIAPFF ADLAKKLPNV LFLKVDTDEL KSVASDWAIQ AMPTFMFLKE GKILDKVVGA KKDELQSTIA KHLA


Formula weight
13925.93 Da
Entity Connection
disulfide 1 Detail
IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing0:CYS50:SG1:CYS53:SG

Source organism
Arabidopsis thaliana
Exptl. method
NMR
Refine. method
TORSION ANGLE DYNAMICS FOLLOWED BY CARTESIAN MOLECULAR DYNAMICS IN EXPLICIT SOLVENT
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 93.5 %, Completeness: 90.8 %, Completeness (bb): 92.8 % Detail
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Polymer type: polypeptide(L)

Total1H13C15N
All90.8 % (1329 of 1463)91.6 % (690 of 753)89.3 % (517 of 579)93.1 % (122 of 131)
Backbone92.8 % (683 of 736)92.4 % (230 of 249)93.2 % (342 of 367)92.5 % (111 of 120)
Sidechain89.5 % (757 of 846)91.3 % (460 of 504)86.4 % (286 of 331)100.0 % (11 of 11)
Aromatic65.9 % (91 of 138)75.4 % (52 of 69)54.5 % (36 of 66)100.0 % (3 of 3)
Methyl97.3 % (144 of 148)97.3 % (72 of 74)97.3 % (72 of 74)

1. Thioredoxin h1

MGHHHHHHLE MASEEGQVIA CHTVETWNEQ LQKANESKTL VVVDFTASWC GPCRFIAPFF ADLAKKLPNV LFLKVDTDEL KSVASDWAIQ AMPTFMFLKE GKILDKVVGA KKDELQSTIA KHLA

Show sample condition
Sample

Temperature 298 K, pH 5.5


#NameIsotope labelingTypeConcentration
1Thioredoxin h1[U-13C; U-15N]0.5 mM
2KCl50 mM
3potassium phosphate buffer10 mM
4H2090 %
5D2010 %

LACS Plot; CA
Referencing offset: -0.32 ppm, Outliers: 2 Detail
LACS Plot; CB
Referencing offset: -0.32 ppm, Outliers: 2 Detail
LACS Plot; HA
Referencing offset: -0.01 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 0.16 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 1XFL, Strand ID: A Detail

Release date
2005-09-07
Citation 1
Solution structure of thioredoxin h1 from Arabidopsis thaliana
Peterson, F.C., Lytle, B.L., Sampath, S., Vinarov, D.A., Tyler, E.M., Shahan, M., Markley, J.L., Volkman, B.F.
Protein Sci. (2005), 14, 2195-2200, PubMed 15987893 , DOI 10.1110/ps.051477905 ,
Show more 4 citaions
Citation 2
NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 ,
Citation 3
Protein backbone angle restraints from searching a database for chemical shift and sequence homology
Cornilescu, G., Delaglio, F., Bax, A.
J. Biomol. NMR (1999), 13, 289-302, PubMed 10212987 ,
Citation 4
Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA
Herrmann, T., Guntert, P., Wuthrich, K.
J. Mol. Biol. (2002), 319, 209-227, PubMed 12051947 , DOI: ,
Citation 5
The Xplor-NIH NMR molecular structure determination package
Schwieters, C.D., Kuszewski, J.J., Tjandra, N., Clore, G.M.
J. Magn. Reson. (2003), 160, 65-73, PubMed 12565051 , DOI: ,
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    Title TRXH1_ARATH Entity Thioredoxin H1
Related entities 1. Thioredoxin h1, : 1 : 2 : 142 entities Detail
More details for 145 related entities
Interaction partners 1. Thioredoxin h1, : 2 interactors Detail
More details for 2 interactors identified by 1 citations
Experiments performed 11 experiments Detail
nullKeywords At3G51030, thioredoxin, Structural Genomics, Protein Structure Initiative, CESG