BMRB Entry 18195

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18195
MolProbity Validation Chart

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Title:
NMR Solution Structure of Optineurin Zinc-finger Domain
Deposition date:
2012-01-12
Original release date:
2013-01-22
Authors:
Wilson, Randall; Wolfsberger, James; Twigg, Pamela
Citation:

Citation: Wilson, Randall; Caudle, Talitha; Wolfsberger, James; Twigg, Pamela. "NMR Solution Structure of Optineurin Zinc-finger Domain"  .

Assembly members:

Assembly members:
entity_1, polymer, 51 residues, 3106.733 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: pET28b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGSSHHHHHHSSGLVPRGSH MASIPIHSCPKCGEVLPDID TLQIHVMDCII

Data sets:
Data typeCount
13C chemical shifts98
15N chemical shifts32
1H chemical shifts175

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 51 residues - 3106.733 Da.

Residues 1-23 represent a non-native affinity tag residues 24-52 represent residues 550-577 of optineurin

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METALASERILEPROILEHISSERCYSPRO
4   LYSCYSGLYGLUVALLEUPROASPILEASP
5   THRLEUGLNILEHISVALMETASPCYSILE
6   ILE

Entity 2, ZINC ION - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: optn550, [U-100% 13C; U-100% 15N], 1.1 ± 0.2 mM; sodium phosphate 50 mM; sodium chloride 50 mM; DSS 0.12 mM; H2O 90%; D2O 10%; sodium azide 0.9%; ZnSO4 100 uM

sample_2: optn550, [U-100% 15N], 1.1 ± 0.2 mM; sodium phosphate 50 mM; sodium chloride 50 mM; DSS 0.12 mM; H2O 90%; D2O 10%; sodium azide 0.9%; ZnSO4 100 uM

sample_conditions_1: pH: 7.3; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

ARIA, Linge, O'Donoghue and Nilges - chemical shift assignment, refinement

X-PLOR, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

  • Varian INOVA 800 MHz

Related Database Links:

PDB
GB EHB07532 KFO34537
REF XP_004662391 XP_010619596 XP_010619597 XP_010619599 XP_010619600

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