BMRB Entry 16856
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16856
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Title: Solution Structure of acyl carrier protein from Borrelia burgdorferi, Seattle Structural Genomics Center for Infectious Disease (SSGCID) consortium
Deposition date: 2010-04-12 Original release date: 2010-04-20
Authors: Barnwal, Ravi Pratap; Vittal, Vinayak; Moody, James; Varani, Gabriele
Citation: Barnwal, Ravi Pratap; Vittal, Vinayak; Moody, James; Varani, Gabriele. "NMR Structure of acyl carrier protein from Borrelia burgdorferi." Not known ., .-..
Assembly members:
acyl_carrier_protein, polymer, 84 residues, 9642.646 Da.
Natural source: Common Name: Lyme disease spirochete Taxonomy ID: 139 Superkingdom: Bacteria Kingdom: not available Genus/species: Borrelia burgdorferi
Experimental source: Production method: recombinant technology Host organism: Borrelia burgdorferi
Entity Sequences (FASTA):
acyl_carrier_protein: GPGSMDNDEIFSKVRSIISE
QLDKKEDEITTDSRFVEDLN
ADSLDIYELLYLLEEAFDDK
IPENEANEFETVGDVVNFIK
KRKG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 335 |
| 15N chemical shifts | 90 |
| 1H chemical shifts | 582 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 84 residues - 9642.646 Da.
| 1 | GLY | PRO | GLY | SER | MET | ASP | ASN | ASP | GLU | ILE | ||||
| 2 | PHE | SER | LYS | VAL | ARG | SER | ILE | ILE | SER | GLU | ||||
| 3 | GLN | LEU | ASP | LYS | LYS | GLU | ASP | GLU | ILE | THR | ||||
| 4 | THR | ASP | SER | ARG | PHE | VAL | GLU | ASP | LEU | ASN | ||||
| 5 | ALA | ASP | SER | LEU | ASP | ILE | TYR | GLU | LEU | LEU | ||||
| 6 | TYR | LEU | LEU | GLU | GLU | ALA | PHE | ASP | ASP | LYS | ||||
| 7 | ILE | PRO | GLU | ASN | GLU | ALA | ASN | GLU | PHE | GLU | ||||
| 8 | THR | VAL | GLY | ASP | VAL | VAL | ASN | PHE | ILE | LYS | ||||
| 9 | LYS | ARG | LYS | GLY |
Samples:
sample_1: acyl carrier protein (BobuA.00658.a), [U-95% 13C; U-95% 15N], 1.1 mM
sample_2: acyl carrier protein (BobuA.00658.a), [U-95% 15N], 1.1 mM
sample_3: acyl carrier protein (BobuA.00658.a) 1.1 mM
sample_conditions_1: pH: 7; 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 | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker AMX 500 MHz
Related Database Links:
| PDB | |
| GB | AAC67041 AAU07553 ABH01977 ACK74653 ADQ29392 |
| REF | NP_212838 WP_002557291 WP_002656801 WP_004789379 WP_006068702 |
| SP | B7J0F1 O51647 Q0SMF1 Q660G8 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts