BMRB Entry 5147
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5147
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Title: NMR structure of the Cyanobacterial Metallothionein SmtA PubMed: 11493688
Deposition date: 2001-09-10 Original release date: 2001-09-19
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
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 286 |
| 15N chemical shifts | 41 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Metallothionein | 1 |
| 2 | ZINC ION, I | 2 |
| 3 | ZINC ION, II | 2 |
| 4 | ZINC ION, III | 2 |
| 5 | ZINC ION, IV | 2 |
Entities:
Entity 1, Metallothionein 55 residues - 6510 Da.
| 1 | THR | SER | THR | THR | LEU | VAL | LYS | CYS | ALA | CYS | ||||
| 2 | GLU | PRO | CYS | LEU | CYS | ASN | VAL | ASP | PRO | SER | ||||
| 3 | LYS | ALA | ILE | ASP | ARG | ASN | GLY | LEU | TYR | TYR | ||||
| 4 | CYS | SER | GLU | ALA | CYS | ALA | ASP | GLY | HIS | THR | ||||
| 5 | GLY | GLY | SER | LYS | GLY | CYS | GLY | HIS | THR | GLY | ||||
| 6 | CYS | ASN | CYS | HIS | GLY |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D NOESY | not available | not available | sample_cond_1 |
| HNHA | not available | not available | sample_cond_1 |
| 2D [1H,111Cd] HSQC | not available | not available | sample_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 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts