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 5147

Title: NMR structure of the Cyanobacterial Metallothionein SmtA   PubMed: 11493688

Authors: Sadler, P.; Robinson, N.

Citation: Blindauer, C.; Harrison, M.; Parkinson, J.; Robinson, A.; Cavet, J.; Robinson, N.; Sadler, P.. "A Novel Metallothionein Containing a Zinc Finger within a Four-metal Cluster Protects a Bacterium from Zinc Toxicity "  Proc. Natl. Acad. Sci. U. S. A. 98, 9593-9598 (2001).

Assembly members:
SmtA, polymer, 55 residues, 6510 Da.
ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: Synechococcus sp.   Taxonomy ID: 1131   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Synechococcus sp.

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
SmtA: TSTTLVKCACEPCLCNVDPS KAIDRNGLYYCSEACADGHT GGSKGCGHTGCNCHG

Data sets:
Data typeCount
1H chemical shifts286
15N chemical shifts41

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Metallothionein1
2ZINC ION, I2
3ZINC ION, II2
4ZINC ION, III2
5ZINC ION, IV2

Entities:

Entity 1, Metallothionein 55 residues - 6510 Da.

1   THRSERTHRTHRLEUVALLYSCYSALACYS
2   GLUPROCYSLEUCYSASNVALASPPROSER
3   LYSALAILEASPARGASNGLYLEUTYRTYR
4   CYSSERGLUALACYSALAASPGLYHISTHR
5   GLYGLYSERLYSGLYCYSGLYHISTHRGLY
6   CYSASNCYSHISGLY

Entity 2, ZINC ION, I - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: SmtA 3 mM; ZINC (II) ION 12 mM; [D-11]TRIS/HCl buffer 50 mM; NaCl 50 mM; H2O 90%; D2O 10%

sample_2: SmtA, [U-15N], 0.4 mM; ZINC (II) ION 1.6 mM; [D-11]TRIS/HCl buffer 50 mM; NaCl 50 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 7.0 na; temperature: 308 K; ionic strength: 50 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D NOESYnot availablenot availablesample_cond_1
HNHAnot availablenot availablesample_cond_1
2D [1H,111Cd] HSQCnot availablenot availablesample_cond_1

Software:

VNMR v6.1c - collection

XWINNMR v2.1 - processing

Sybyl v6.3 - data analysis

DIANA v2.2.1 - structure solution

SYBYL v6.3 - refinement

NMR spectrometers:

  • Bruker DMX 360 MHz

Related Database Links:

SWISS-PROT P08002 P30331
REF YP_170973 YP_400307
GenBank ABD39379 ABB57320
PRF 1708292A
EMBL CAA45873
PDB
DBJ BAD78453