BMRB Entry 6303
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6303
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Title: Solution structure of a diiron protein model PubMed: 15700297
Deposition date: 2004-08-26 Original release date: 2005-05-19
Authors: Maglio, O.; Nastri, F.; Calhoun, J.; Lahr, S.; Pavone, V.; DeGrado, W.; Lombardi, A.
Citation: Calhoun, J.; Nastri, F.; Maglio, O.; Pavone, V.; Lombardi, A.; DeGrado, W.. "Artificial diiron proteins: From structure to function" Biopolymers 80, 264-278 (2005).
Assembly members:
Four-helix bundle, polymer, 49 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Four-helix bundle: MDYLRELYKLEQQAMKLYRE
ASERVGDPVLAKILEDEEKH
IEWLETING
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 363 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Four-helix bundle chain A | 1 |
| 2 | Four-helix bundle chain B | 1 |
| 3 | ZINC (II) ION 1 | 2 |
| 4 | ZINC (II) ION 2 | 2 |
Entities:
Entity 1, Four-helix bundle chain A 49 residues - Formula weight is not available
| 1 | MET | ASP | TYR | LEU | ARG | GLU | LEU | TYR | LYS | LEU | ||||
| 2 | GLU | GLN | GLN | ALA | MET | LYS | LEU | TYR | ARG | GLU | ||||
| 3 | ALA | SER | GLU | ARG | VAL | GLY | ASP | PRO | VAL | LEU | ||||
| 4 | ALA | LYS | ILE | LEU | GLU | ASP | GLU | GLU | LYS | HIS | ||||
| 5 | ILE | GLU | TRP | LEU | GLU | THR | ILE | ASN | GLY |
Entity 2, ZINC (II) ION 1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: Four-helix bundle 0.5 mM; phosphate buffer 50 mM; H2O 90%; D2O 10%
sample_cond_1: pH: 6.1; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D TOCSY | sample_1 | not available | sample_cond_1 |
| DQF-COSY | sample_1 | not available | sample_cond_1 |
| 2D NOESY | sample_1 | not available | sample_cond_1 |
Software:
NMRPipe v1.7 - processing
DYANA v1.5 - structure solution
AMBER v7.0 - refinement
NMR spectrometers:
- Bruker AVANCE 800 MHz
Related Database Links:
| PDB |