BMRB Entry 4524
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4524
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Title: Solution Structure of a Type-I Dockerin Domain, a Novel Prokaryotic, Extracellular Calcium-Binding Domain PubMed: 11273698
Deposition date: 1999-11-01 Original release date: 2002-03-29
Authors: Lytle, B.; Volkman, B.; Westler, W.; Heckman, M.; Wu, J.
Citation: Lytle, B.; Volkman, B.; Westler, W.; Heckman, M.; Wu, J.. "Solution Structure of a Type I Dockerin Domain, a Novel Prokaryotic, Extracellular Calcium-binding Domain" J. Mol. Biol. 307, 745-753 (2001).
Assembly members:
DOCKERIN DOMAIN, polymer, 71 residues, Formula weight is not available
CA, non-polymer, 40.078 Da.
Natural source: Common Name: Clostridium thermocellum Taxonomy ID: 1515 Superkingdom: Bacteria Kingdom: not available Genus/species: Clostridium thermocellum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
DOCKERIN DOMAIN: MSTKLYGDVNDDGKVNSTDA
VALKRYVLRSGISINTDNAD
LNEDGRVNSTDLGILKRYIL
KEIDTLPYKNG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 441 |
| 15N chemical shifts | 69 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Dockerin domain | 1 |
| 2 | Ca 2+ | 2 |
Entities:
Entity 1, Dockerin domain 71 residues - Formula weight is not available
| 1 | MET | SER | THR | LYS | LEU | TYR | GLY | ASP | VAL | ASN | ||||
| 2 | ASP | ASP | GLY | LYS | VAL | ASN | SER | THR | ASP | ALA | ||||
| 3 | VAL | ALA | LEU | LYS | ARG | TYR | VAL | LEU | ARG | SER | ||||
| 4 | GLY | ILE | SER | ILE | ASN | THR | ASP | ASN | ALA | ASP | ||||
| 5 | LEU | ASN | GLU | ASP | GLY | ARG | VAL | ASN | SER | THR | ||||
| 6 | ASP | LEU | GLY | ILE | LEU | LYS | ARG | TYR | ILE | LEU | ||||
| 7 | LYS | GLU | ILE | ASP | THR | LEU | PRO | TYR | LYS | ASN | ||||
| 8 | GLY |
Entity 2, Ca 2+ - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: DOCKERIN DOMAIN 0.8 mM; potassium chloride 100 mM; calcium chloride 20 mM; D2O 10%; H2O 90%
sample_2: DOCKERIN DOMAIN, [U-15N], 1.0 mM; potassium chloride 100 mM; calcium chloride 20 mM; D2O 10%; H2O 90%
sample_cond_1: pH: 6.0; temperature: 328 K; ionic strength: 100 mM; pressure: 1 atm
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 15N-separated NOESY | not available | not available | sample_cond_1 |
| 2D NOESY | not available | not available | sample_cond_1 |
| 3D 15N separated TOCSY | not available | not available | sample_cond_1 |
Software:
DYANA v1.5 - Structure solution
XEASY - NOE assignment
FELIX v95.0 - Processing
NMRPIPE - Processing
NMR spectrometers:
- Bruker DMX 500 MHz
- Bruker DMX 600 MHz
- Bruker DMX 750 MHz
Related Database Links:
| BMRB | 25158 |
| PDB | |
| EMBL | CDG36590 |
| GB | AAA23226 AAB27404 ABN53296 ADU75731 AGG53971 |
| REF | WP_003514183 WP_003520216 WP_041734333 |
| SP | A3DH67 P0C2S5 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts