BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18708

Title: Structure of Co-substituted microcrystalline SOD using PCS and PRE restraints by solid-state NMR   PubMed: 22916960

Authors: Knight, M.; Felli, I.; Pierattelii, R.; Bertini, I.; Emsley, L.; Herrmann, T.; Pintacuda, Guido

Citation: Knight, Michael; Felli, Isabella; Pierattelli, Roberta; Bertini, Ivano; Emsley, Lyndon; Herrmann, Torsten; Pintacuda, Guido. "Rapid measurement of pseudocontact shifts in metalloproteins by proton-detected solid-state NMR spectroscopy."  J. Am. Chem. Soc. 134, 14730-14733 (2012).

Assembly members:
SUPEROXIDE_DISMUTASE_CU-ZN, polymer, 153 residues, 15747.3145 Da.
entity_CO, non-polymer, 58.933 Da.
entity_CU, 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_CU-ZN: 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 [CU-ZN]1
2COBALT (II) ION2
3COPPER (II) ION3

Entities:

Entity 1, SUPEROXIDE DISMUTASE [CU-ZN] 153 residues - 15747.3145 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, COBALT (II) ION - Co - 58.933 Da.

1   CO

Entity 3, COPPER (II) ION - Cu - 63.546 Da.

1   CU

Samples:

sample_1: SUPEROXIDE DISMUTASE [CU-ZN], [U-13C; U-15N], mM

sample_conditions_1: ionic strength: . mM; pH: .; pressure: . atm; temperature: 298.000 K

Experiments:

NameSampleSample stateSample conditions
NMR_exptsample_1solidsample_conditions_1

Software:

AutoDep v4.3, PDBe - chemical shift assignment

CYANA vany, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, data analysis

NMR spectrometers:

  • Bruker Avance 1000 MHz

Related Database Links:

UNP SODC_HUMAN
BMRB 15711 15712 15713 15714 18509 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