BMRB Entry 34922
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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/BMR34922
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry
Citation: Geyer, A.; Vazquez, O.. "Dinaphthyl Histidine-based Pharmacophore for In Vivo Eradication of Multidrug-Resistant Bacteria by Peptidoglycan Crosslinking Inhibition" .
Assembly members:
entity_1, polymer, 7 residues, 1634.948 Da.
Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity_1: XRRXXRF
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 52 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 7 residues - 1634.948 Da.
| 1 | TYZ | ARG | ARG | A1IFI | A1IFI | ARG | PHE |
Samples:
sample_1: RRHdnHdnRF 10 mM
sample_conditions_1: ionic strength: 50 mM; pH: 3.0; pressure: 1 bar; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D ROESY | sample_1 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - chemical shift assignment, refinement
HyperChem, Hypercube - structure calculation
NMR spectrometers:
- Bruker AVANCE 600 MHz