BMRB Entry 6836
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6836
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NMR-STAR v3 text file.
XML gzip file.
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Citation: Nouailler, Matthieu; Morelli, Xavier; Bornet, Olivier; Chetrit, Bernard; Dermoun, Zorrah; Guerlesquin, Francoise. "Solution structure of HndAc: A thioredoxin-like domain involved in the
NADP-reducing hydrogenase complex" Protein Sci. 15, 1369-1378 (2006).
PubMed: 16731971
Assembly members:
HndAc, polymer, 85 residues, Formula weight is not available
FES, non-polymer, 175.820 Da.
Natural source: Common Name: Desulfovibrio fructosovorans Taxonomy ID: 878 Superkingdom: Eubacteria Kingdom: Not applicable Genus/species: Desulfovibrio fructosovorans
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
HndAc: MVPKGKYPISVCMGTACFVK
GADKVVHAFKEQLKIDIGDV
TPDGRFSIDTLRCVGGCALA
PIVMVGEKVYGNVTPGQVKK
ILAEY
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 130 |
| 15N chemical shifts | 64 |
| 1H chemical shifts | 336 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HndAc domain | 1 |
| 2 | cluster [2Fe-2S] | 2 |
Entities:
Entity 1, HndAc domain 85 residues - Formula weight is not available
| 1 | MET | VAL | PRO | LYS | GLY | LYS | TYR | PRO | ILE | SER | ||||
| 2 | VAL | CYS | MET | GLY | THR | ALA | CYS | PHE | VAL | LYS | ||||
| 3 | GLY | ALA | ASP | LYS | VAL | VAL | HIS | ALA | PHE | LYS | ||||
| 4 | GLU | GLN | LEU | LYS | ILE | ASP | ILE | GLY | ASP | VAL | ||||
| 5 | THR | PRO | ASP | GLY | ARG | PHE | SER | ILE | ASP | THR | ||||
| 6 | LEU | ARG | CYS | VAL | GLY | GLY | CYS | ALA | LEU | ALA | ||||
| 7 | PRO | ILE | VAL | MET | VAL | GLY | GLU | LYS | VAL | TYR | ||||
| 8 | GLY | ASN | VAL | THR | PRO | GLY | GLN | VAL | LYS | LYS | ||||
| 9 | ILE | LEU | ALA | GLU | TYR |
Entity 2, cluster [2Fe-2S] - Fe2 S2 - 175.820 Da.
| 1 | FES |
Samples:
sample_1: HndAc 1 mM; cluster [2Fe-2S] 4 mM
sample_2: HndAc, [U-13C; U-15N], 0.15 mM; cluster [2Fe-2S] 0.60 mM
conditions_1: pH: 5.9; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D_TOCSY | not available | not available | conditions_1 |
| 2D_NOESY | sample_1 | not available | conditions_1 |
| 2D_COSY | not available | not available | conditions_1 |
| 2D_TOCSY-HSQC | not available | not available | conditions_1 |
| 2D_NOESY-HSQC | not available | not available | conditions_1 |
| 3D_TOCSY-HSQC | not available | not available | conditions_1 |
| 3D_NOESY-HSQC | not available | not available | conditions_1 |
| 15N_HSQC | not available | not available | conditions_1 |
| 13C_HSQC | not available | not available | conditions_1 |
| 3D_HNCA | not available | not available | conditions_1 |
| 3D_HNHA | not available | not available | conditions_1 |
| 3D_CBCACONH | not available | not available | conditions_1 |
| 3D_HCCH_TOCSY | not available | not available | conditions_1 |
| 3D_HNCO | not available | not available | conditions_1 |
| 3D_HNCACO | not available | not available | conditions_1 |
Software:
Xwin-nmr v3.1, BRUKER - aquisition and processing
FELIX v2002, accelrys -
NMR spectrometers:
- BRUKER AVANCE DRX 500 MHz
- VARIAN INOVA 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks