BMRB: 6128

Structure of At3g01050.1, a ubiquitin-fold protein from Arabidopsis thaliana

Authors

Lytle, B.L., Peterson, F.C., Volkman, B.F., Markley, J.L.

Assembly

At3g01050.1

Entity

1. At3g01050.1 (polymer, Thiol state: not present), 126 monomers, 13942.90 Da Detail

MGHHHHHHLE AEVHNQLEIK FRLTDGSDIG PKAFPDATTV SALKETVISE WPREKENGPK TVKEVKLISA GKVLENSKTV KDYRSPVSNL AGAVTTMHVI IQAPVTEKEK KPKGDPKMNK CVCSVM

Formula weight

13942.9 Da

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: 92.9 %, Completeness: 79.1 %, Completeness (bb): 89.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	79.1 % (1155 of 1461)	71.5 % (546 of 764)	86.7 % (495 of 571)	90.5 % (114 of 126)
Backbone	89.5 % (662 of 740)	86.1 % (216 of 251)	91.6 % (340 of 371)	89.8 % (106 of 118)
Sidechain	71.7 % (602 of 840)	64.3 % (330 of 513)	82.8 % (264 of 319)	100.0 % (8 of 8)
Aromatic	43.1 % (31 of 72)	47.2 % (17 of 36)	37.1 % (13 of 35)	100.0 % (1 of 1)
Methyl	87.0 % (120 of 138)	85.5 % (59 of 69)	88.4 % (61 of 69)

1. At3g01050.1

MGHHHHHHLE AEVHNQLEIK FRLTDGSDIG PKAFPDATTV SALKETVISE WPREKENGPK TVKEVKLISA GKVLENSKTV KDYRSPVSNL AGAVTTMHVI IQAPVTEKEK KPKGDPKMNK CVCSVM

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	At3g01050.1	[U-13C; U-15N]		0.5 mM
2	KCl			50 mM
3	phosphate buffer			10 mM
4	DTT			1 mM
5	H20			90 %
6	D20			10 %

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LACS Plot; CA

Referencing offset: -0.4 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
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CB

Referencing offset: -0.4 ppm, Outliers: 1 Detail

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Chemical shift reference

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

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LACS Plot; HA

Referencing offset: -0.01 ppm, Outliers: 2 Detail

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Chemical shift reference

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

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LACS Plot; CO

Referencing offset: 0.19 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
1H	DSS	methyl protons	0.0 ppm	null	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

Calculated from 20 models in PDB: 1SE9, Strand ID: A Detail

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Release date

2004-05-14

Citation 1

Cell-free protein production and labeling protocol for NMR-based structural proteomics
Vinarov, D.A., Lytle, B.L., Peterson, F.C., Tyler, E., Volkman, B.F., Markley, J.L.
Nat. Methods (2004), 1, 149-153, PubMed 15782178 , DOI 10.1038/nmeth716 , Abstract

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 , Abstract

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 , Abstract

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 , Abstract

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: , Abstract

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Related entities 1. At3g01050.1, : 1 : 2 : 29 entities Detail

Interaction partners 1. At3g01050.1, : 2 interactors Detail

Experiments performed 13 experiments Detail