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BMRB: 30075

5JPX

Solution structure of the TRIM21 B-box2 (B2)

Authors

Wallenhammar, A., Anandapadamanaban, M., Sunnerhagen, M.

Assembly

E3 ubiquitin-protein ligase TRIM21 (E.C.6.3.2.-)

Entity

1. E3 ubiquitin-protein ligase TRIM21 (polymer), 45 monomers, 5132.817 Da Detail

GTQGERCAVH GERLHLFCEK DGKALCWVCA QSRKHRDHAM VPLEE

2. ZINC ION (non-polymer), 65.409 Da

Total weight

5198.226 Da

Max. entity weight

5132.817 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.6 %, Completeness (bb): 90.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.6 % (458 of 511)	89.6 % (240 of 268)	90.8 % (178 of 196)	85.1 % (40 of 47)
Backbone	90.7 % (243 of 268)	90.3 % (84 of 93)	91.6 % (120 of 131)	88.6 % (39 of 44)
Sidechain	89.1 % (253 of 284)	89.1 % (156 of 175)	90.6 % (96 of 106)	33.3 % (1 of 3)
Aromatic	73.7 % (28 of 38)	78.9 % (15 of 19)	66.7 % (12 of 18)	100.0 % (1 of 1)
Methyl	100.0 % (38 of 38)	100.0 % (19 of 19)	100.0 % (19 of 19)

1. E3 ubiquitin-protein ligase TRIM21

GTQGERCAVH GERLHLFCEK DGKALCWVCA QSRKHRDHAM VPLEE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 450 uM [U-13C; U-15N] TRIM21 Bbox2, 50 mM TRIS, 150 mM sodium chloride, 10 mM beta-mercaptoethanol, 10 uM ZINC ION, 10 % glycerol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	TRIM21 Bbox2	[U-13C; U-15N]	450 uM
2	TRIS	natural abundance	50 mM
3	ZINC ION	natural abundance	10 uM
4	beta-mercaptoethanol	natural abundance	10 mM
5	glycerol	natural abundance	10 %
6	sodium chloride	natural abundance	150 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.5, Details 450 uM [U-13C; U-15N] TRIM21 Bbox2, 50 mM deuterated TRIS, 150 mM sodium chloride, 10 mM beta-mercaptoethanol, 10 uM ZINC ION, 10 % glycerol, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	TRIM21 Bbox2	[U-13C; U-15N]	450 uM
8	TRIS	deuterated	50 mM
9	ZINC ION	natural abundance	10 uM
10	beta-mercaptoethanol	natural abundance	10 mM
11	glycerol	natural abundance	10 %
12	sodium chloride	natural abundance	150 mM

LACS Plot; CA

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

Referencing offset: -0.33 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.33 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.08 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.11 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5JPX, Strand ID: A Detail

Release date

2016-05-23

Citation

Solution NMR structure of the TRIM21 B-box2 and identification of residues involved in its interaction with the RING domain
Wallenhammar, A., Anandapadamanaban, M., Lemak, A., Mirabello, C., Lundstrom, P., Wallner, B., Sunnerhagen, M.
PLoS One (2017), 12, e0181551-e0181551, PubMed 28753623 , DOI 10.1371/journal.pone.0181551 , Abstract

Related entities 1. E3 ubiquitin-protein ligase TRIM21, : 1 : 2 : 1 : 211 entities Detail

Interaction partners 1. E3 ubiquitin-protein ligase TRIM21, : 45 interactors Detail

More details for 45 interactors identified by 21 citations