BMRB Entry 18299

Click here to enlarge.

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/BMR18299
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Solution structure of the K60A mutant of Atox1
Deposition date:
2012-02-28
Original release date:
2013-03-25
Authors:
Xi, Zhaoyong; Shi, Chaowei; Lai, Chaohua; Tian, Changlin; Liu, Yangzhong
Citation:

Citation: Xi, Zhaoyong; Shi, Chaowei; Lai, Chaohua; Tian, Changlin; Liu, Yangzhong. "Solution structure of the K60A mutant of Atox1"  .

Assembly members:

Assembly members:
entity, polymer, 68 residues, 7354.592 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: pST-SG1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MPKHEFSVDMTCGGCAEAVS RVLNKLGGVKYDIDLPNKKV CIESEHSMDTLLATLKKTGA TVSYLGLE

Data sets:
Data typeCount
13C chemical shifts259
15N chemical shifts68
1H chemical shifts387

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1K60A mutant of Atox11

Entities:

Entity 1, K60A mutant of Atox1 68 residues - 7354.592 Da.

1   METPROLYSHISGLUPHESERVALASPMET
2   THRCYSGLYGLYCYSALAGLUALAVALSER
3   ARGVALLEUASNLYSLEUGLYGLYVALLYS
4   TYRASPILEASPLEUPROASNLYSLYSVAL
5   CYSILEGLUSERGLUHISSERMETASPTHR
6   LEULEUALATHRLEULYSLYSTHRGLYALA
7   THRVALSERTYRLEUGLYLEUGLU

Samples:

sample_1: K60A, [U-100% 13C; U-100% 15N], 0.4 – 0.5 mM; sodium phosphate 100 mM; DTT2 – 2.5 mM; H2O 90%; D2O 10%

sample_2: K60A, [U-100% 15N], 0.4 – 0.5 mM; sodium phosphate 100 mM; DTT2 – 2.5 mM; H2O 90%; D2O 10%

sample_3: K60A, [U-100% 13C; U-100% 15N], 0.4 – 0.5 mM; sodium phosphate 100 mM; DTT2 – 2.5 mM; D2O 100%

sample_conditions_1: ionic strength: 0.215 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_3isotropicsample_conditions_1
3D HCCH-COSYsample_3isotropicsample_conditions_1

Software:

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

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

SPARKY, Goddard - chemical shift assignment, peak picking

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

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAF85752
EMBL CAG33182
GB AAC51227 AAI12249 AAI12251 AAN84554 AAP88788
REF NP_004036 XP_001169183 XP_002816151 XP_003829035 XP_004042903
SP O00244
AlphaFold O00244

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