BMRB Entry 30186
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PDB ID: 5tgy
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30186
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Polizzi, Nicholas; Wu, Yibing; Lemmin, Thomas; Maxwell, Alison; Zhang, Shao-Qing; Rawson, Jeff; Beratan, David; Therien, Michael; DeGrado, William. "De novo design of a hyperstable non-natural protein-ligand complex with sub-angstrom accuracy." Nat. Chem. 9, 1157-1164 (2017).
PubMed: 29168496
Assembly members:
entity_1, polymer, 109 residues, 12965.262 Da.
entity_7BU, non-polymer, 645.737 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: SEFEKLRQTGDELVQAFQRL
REIFDKGDDDSLEQVLEEIE
ELIQKHRQLFDNRQEAADTE
AAKQGDQWVQLFQRFREAID
KGDKDSLEQLLEELEQALQK
IRELAEKKN
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 377 |
| 15N chemical shifts | 129 |
| 1H chemical shifts | 820 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_7BU | 2 |
Entities:
Entity 1, entity_1 109 residues - 12965.262 Da.
| 1 | SER | GLU | PHE | GLU | LYS | LEU | ARG | GLN | THR | GLY | ||||
| 2 | ASP | GLU | LEU | VAL | GLN | ALA | PHE | GLN | ARG | LEU | ||||
| 3 | ARG | GLU | ILE | PHE | ASP | LYS | GLY | ASP | ASP | ASP | ||||
| 4 | SER | LEU | GLU | GLN | VAL | LEU | GLU | GLU | ILE | GLU | ||||
| 5 | GLU | LEU | ILE | GLN | LYS | HIS | ARG | GLN | LEU | PHE | ||||
| 6 | ASP | ASN | ARG | GLN | GLU | ALA | ALA | ASP | THR | GLU | ||||
| 7 | ALA | ALA | LYS | GLN | GLY | ASP | GLN | TRP | VAL | GLN | ||||
| 8 | LEU | PHE | GLN | ARG | PHE | ARG | GLU | ALA | ILE | ASP | ||||
| 9 | LYS | GLY | ASP | LYS | ASP | SER | LEU | GLU | GLN | LEU | ||||
| 10 | LEU | GLU | GLU | LEU | GLU | GLN | ALA | LEU | GLN | LYS | ||||
| 11 | ILE | ARG | GLU | LEU | ALA | GLU | LYS | LYS | ASN |
Entity 2, entity_7BU - C24 H8 F12 N4 Zn - 645.737 Da.
| 1 | 7BU |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks