BMRB Entry 26570

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26570

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Title:
Backbone and sidechain 1H, 13C and 15N chemical shifts for human superoxide dismutase (hSOD1) lacking bound metal and the intrasubunit disulfide bond
Deposition date:
2015-05-04
Original release date:
2015-06-08
Authors:
Kay, Lewis; Sekhar, Ashok; Rumfeldt, Jessica; Broom, Helen; Doyle, Colleen; Meiering, Elizabeth
Citation:

Citation: Sekhar, Ashok; Rumfeldt, Jessica; Broom, Helen; Doyle, Colleen; Meiering, Elizabeth; Kay, Lewis. "Thermal Fluctuations of Immature SOD1 Lead to Separate Folding and Misfolding Pathways"  ELife 4, e07296-e07296 (2015).
PubMed: 26099300

Assembly members:

Assembly members:
SOD1, polymer, 153 residues, Formula weight is not available

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: pHSOD1ASlacIq

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SOD1: ATKAVAVLKGDGPVQGIINF EQKESNGPVKVWGSIKGLTE GLHGFHVHEFGDNTAGCTSA GPHFNPLSRKHGGPKDEERH VGDLGNVTADKDGVADVSIE DSVISLSGDHSIIGRTLVVH EKADDLGKGGNEESTKTGNA GSRLACGVIGIAQ

Data sets:
Data typeCount
13C chemical shifts546
15N chemical shifts136
1H chemical shifts829

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1SOD1 monomer1

Entities:

Entity 1, SOD1 monomer 153 residues - Formula weight is not available

1   ALATHRLYSALAVALALAVALLEULYSGLY
2   ASPGLYPROVALGLNGLYILEILEASNPHE
3   GLUGLNLYSGLUSERASNGLYPROVALLYS
4   VALTRPGLYSERILELYSGLYLEUTHRGLU
5   GLYLEUHISGLYPHEHISVALHISGLUPHE
6   GLYASPASNTHRALAGLYCYSTHRSERALA
7   GLYPROHISPHEASNPROLEUSERARGLYS
8   HISGLYGLYPROLYSASPGLUGLUARGHIS
9   VALGLYASPLEUGLYASNVALTHRALAASP
10   LYSASPGLYVALALAASPVALSERILEGLU
11   ASPSERVALILESERLEUSERGLYASPHIS
12   SERILEILEGLYARGTHRLEUVALVALHIS
13   GLULYSALAASPASPLEUGLYLYSGLYGLY
14   ASNGLUGLUSERTHRLYSTHRGLYASNALA
15   GLYSERARGLEUALACYSGLYVALILEGLY
16   ILEALAGLN

Samples:

sample_1: SOD1, [U-99% 13C; U-99% 15N], 1.5 mM; HEPES 20 mM; NaN3 1 mM; TCEP 1 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 800 MHz
  • Varian INOVA 600 MHz

Related Database Links:

BMRB 15711 15712 15713 15714 18509 18708 18968 19962 4202
PDB
DBJ BAA14373 BAC20345 BAG35052 BAG73767
EMBL CAA26182 CAG29351 CAG46542
GB AAA72747 AAA80237 AAB05661 AAB05662 AAB27818
REF NP_000445 NP_001009025 XP_003813274 XP_004062735 XP_004062736
SP P00441 P60052
AlphaFold P00441 P60052

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