BMRB Entry 30066
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30066
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: PigG holo
Deposition date: 2016-04-17 Original release date: 2017-08-16
Authors: Jaremko, M.; Lee, D.; Burkart, M.
Citation: Jaremko, M.; Lee, D.; Burkart, M.. "PigG holo" . ., .-..
Assembly members:
entity_1, polymer, 89 residues, 9787.098 Da.
entity_PNS, non-polymer, 358.348 Da.
Natural source: Common Name: Serratia sp. Taxonomy ID: 616 Superkingdom: Bacteria Kingdom: not available Genus/species: Serratia sp.
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MLESKLINHIATQFLDGEKD
GLDSQTPLFELNIVDSAAIF
DLVDFLRQESKVSIGMQEIH
PANFATVQSMVALVQRLKAH
PEQGGAALE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 382 |
| 15N chemical shifts | 95 |
| 1H chemical shifts | 639 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_PNS | 2 |
Entities:
Entity 1, entity_1 89 residues - 9787.098 Da.
| 1 | MET | LEU | GLU | SER | LYS | LEU | ILE | ASN | HIS | ILE | ||||
| 2 | ALA | THR | GLN | PHE | LEU | ASP | GLY | GLU | LYS | ASP | ||||
| 3 | GLY | LEU | ASP | SER | GLN | THR | PRO | LEU | PHE | GLU | ||||
| 4 | LEU | ASN | ILE | VAL | ASP | SER | ALA | ALA | ILE | PHE | ||||
| 5 | ASP | LEU | VAL | ASP | PHE | LEU | ARG | GLN | GLU | SER | ||||
| 6 | LYS | VAL | SER | ILE | GLY | MET | GLN | GLU | ILE | HIS | ||||
| 7 | PRO | ALA | ASN | PHE | ALA | THR | VAL | GLN | SER | MET | ||||
| 8 | VAL | ALA | LEU | VAL | GLN | ARG | LEU | LYS | ALA | HIS | ||||
| 9 | PRO | GLU | GLN | GLY | GLY | ALA | ALA | LEU | GLU |
Entity 2, entity_PNS - C11 H23 N2 O7 P S - 358.348 Da.
| 1 | PNS |
Samples:
sample_1: PigG, [U-13C; U-15N], 1.5 mM; KPi 50 mM; TCEP 5 mM; sodium azide .1%
sample_conditions_1: ionic strength: 50 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | 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-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
SPARKY, Goddard - chemical shift assignment, peak picking
NMR spectrometers:
- Varian vs800 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts