BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 18509

Title: Structure and chemical shifts of Cu(I),Zn(II) superoxide dismutase by solid-state NMR   PubMed: 22723345

Authors: Knight, Michael; Pell, Andrew; Bertini, Ivano; Felli, Isabella; Gonnelli, Leonardo; Pierattelli, Roberta; Herrmann, Torsten; Emsley, Lyndon; Pintacuda, Guido

Citation: Knight, Michael; Pell, Andrew; Bertini, Ivano; Felli, Isabella; Gonnelli, Leonardo; Pierattelli, Roberta; Herrmann, Torsten; Emsley, Lyndon; Pintacuda, Guido. "Structure and backbone dynamics of a microcrystalline metalloprotein by solid-state NMR"  Proc. Natl. Acad. Sci. U.S.A. 109, 11095-11100 (2012).

Assembly members:
Superoxide_dismutase_C6A-C111S_thermostable_mutant, polymer, 153 residues, 15779.566 Da.
COPPER (II) ION, non-polymer, 63.546 Da.

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

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

Entity Sequences (FASTA):
Superoxide_dismutase_C6A-C111S_thermostable_mutant: ATKAVAVLKGDGPVQGIINF EQKESNGPVKVWGSIKGLTE GLHGFHVHEFGDNTAGCTSA GPHFNPLSRKHGGPKDEERH VGDLGNVTADKDGVADVSIE DSVISLSGDHSIIGRTLVVH EKADDLGKGGNEESTKTGNA GSRLACGVIGIAQ

Data sets:
Data typeCount
13C chemical shifts245
15N chemical shifts136
1H chemical shifts136

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Superoxide_dismutase_C6A/C111S_thermostable_mutant1
2CU22

Entities:

Entity 1, Superoxide_dismutase_C6A/C111S_thermostable_mutant 153 residues - 15779.566 Da.

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

Entity 2, CU2 - Cu - 63.546 Da.

1   CU

Samples:

sample_1: Superoxide dismutase C6A/C111S thermostable mutant, [U-13C; U-15N; U-2H], 3.5 mg; Sodium Citrate 20 mM; Polyethylene Glycol 6000 .20 w/v

sample_conditions_1: ionic strength: 0.02 M; pH: 5; pressure: 1 atm; temperature: 286 K

Experiments:

NameSampleSample stateSample conditions
2D CP-HSQCsample_1solidsample_conditions_1
2D R1_15Nsample_1solidsample_conditions_1
2D R1_13Csample_1solidsample_conditions_1
2D (H)NHH_RFDRsample_1solidsample_conditions_1
3D (H)CONHsample_1solidsample_conditions_1
2D NCAsample_1solidsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

UNIO v2.5.0, Herrmann, Guntert and Wuthrich - chemical shift assignment, collection, peak picking

NMR spectrometers:

  • Bruker Avance 850 MHz

Related Database Links:

BMRB 15711 15712 15713 15714 18708 18968 19962 26570 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