BMRB Entry 34447
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34447
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Title: Bam_5920cDD 5919nDD docking domains
Deposition date: 2019-11-08 Original release date: 2020-08-06
Authors: Risser, F.; Chagot, B.
Citation: Risser, F.; Dos Santos-Morais, R.; Collin, S.; Gruez, A.; Chagot, B.; Weissman, K.. "Understanding Intersubunit Interactions in the Enacyloxin Mixed cis-/trans-AT Polyketide Synthase" . ., .-..
Assembly members:
entity_1, polymer, 64 residues, 6734.480 Da.
Natural source: Common Name: Burkholderia ambifaria Taxonomy ID: 339670 Superkingdom: Bacteria Kingdom: not available Genus/species: Burkholderia ambifaria
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GPGSYDAALPIDELSALLRQ
EMGDDGGGSGGGSMQDIQQL
LAKSLTEIKRLKAANQALEQ
ARRE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 504 |
| 15N chemical shifts | 144 |
| 1H chemical shifts | 868 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
Entities:
Entity 1, unit_1 64 residues - 6734.480 Da.
| 1 | GLY | PRO | GLY | SER | TYR | ASP | ALA | ALA | LEU | PRO | ||||
| 2 | ILE | ASP | GLU | LEU | SER | ALA | LEU | LEU | ARG | GLN | ||||
| 3 | GLU | MET | GLY | ASP | ASP | GLY | GLY | GLY | SER | GLY | ||||
| 4 | GLY | GLY | SER | MET | GLN | ASP | ILE | GLN | GLN | LEU | ||||
| 5 | LEU | ALA | LYS | SER | LEU | THR | GLU | ILE | LYS | ARG | ||||
| 6 | LEU | LYS | ALA | ALA | ASN | GLN | ALA | LEU | GLU | GLN | ||||
| 7 | ALA | ARG | ARG | GLU |
Samples:
sample_1: protein, [U-100% 13C; U-100% 15N], 1 mM
sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
Sparky, Goddard - chemical shift assignment
TopSpin, Bruker Biospin - collection
NMR spectrometers:
- Bruker DRX 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts