BMRB Entry 30075

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30075
MolProbity Validation Chart

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Title:
Solution structure of the TRIM21 B-box2 (B2)
Deposition date:
2016-05-04
Original release date:
2017-08-04
Authors:
Wallenhammar, Amelie; Anandapadamanaban, Madhanagopal; Sunnerhagen, Maria
Citation:

Citation: Wallenhammar, Amelie; Anandapadamanaban, Madhanagopal; Lemak, Alexander; Mirabello, Claudio; Lundstrom, Patrik; Wallner, Bjorn; Sunnerhagen, Maria. "Solution NMR structure of the TRIM21 B-box2 and identification of residues involved in its interaction with the RING domain"  PLoS ONE 12, e0181551-e0181551 (2017).
PubMed: 28753623

Assembly members:

Assembly members:
E3 ubiquitin-protein ligase TRIM21, polymer, 45 residues, 5143.907 Da.
ZINC ION, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
E3 ubiquitin-protein ligase TRIM21: GTQGERCAVHGERLHLFCEK DGKALCWVCAQSRKHRDHAM VPLEE

Data sets:
Data typeCount
13C chemical shifts175
15N chemical shifts40
1H chemical shifts279

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2ZINC ION2

Entities:

Entity 1, entity_1 45 residues - 5143.907 Da.

1   GLYTHRGLNGLYGLUARGCYSALAVALHIS
2   GLYGLUARGLEUHISLEUPHECYSGLULYS
3   ASPGLYLYSALALEUCYSTRPVALCYSALA
4   GLNSERARGLYSHISARGASPHISALAMET
5   VALPROLEUGLUGLU

Entity 2, ZINC ION - 65.409 Da.

1   ZN

Samples:

sample_1: TRIM21 Bbox2, [U-13C; U-15N], 450 uM; TRIS 50 mM; ZINC ION 10 uM; beta-mercaptoethanol 10 mM; glycerol 10%; sodium chloride 150 mM

sample_2: TRIM21 Bbox2, [U-13C; U-15N], 450 uM; TRIS, deuterated, 50 mM; ZINC ION 10 uM; beta-mercaptoethanol 10 mM; glycerol 10%; sodium chloride 150 mM

sample_conditions_1: ionic strength: 200 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 200 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_2
2D 1H-13C HSQC aromaticsample_2isotropicsample_conditions_2
3D HCCH-TOCSYsample_2isotropicsample_conditions_2
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_2
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_2

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, peak picking

TALOS, Cornilescu, Delaglio and Bax - structure calculation

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker AvanceIII 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks