BMRB Entry 34719
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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/BMR34719
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Title: Solution structure of the PulM C-terminal domain from Klebsiella oxytoca PubMed: 36586404
Deposition date: 2022-03-30 Original release date: 2023-01-13
Authors: Lopez-Castilla, A.; Bardiaux, B.; Nilges, M.; Francetic, O.; Izadi-Pruneyre, N.
Citation: Dazzoni, R.; Li, Y.; Lopez-Castilla, A.; Brier, S.; Mechaly, A.; Cordier, F.; Haouz, A.; Nilges, M.; Francetic, O.; Bardiaux, B.; Izadi-Pruneyre, N.. "Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system" Structure 31, 152-165 (2023).
Assembly members:
entity_1, polymer, 83 residues, 8938.165 Da.
Natural source: Common Name: Klebsiella oxytoca Taxonomy ID: 571 Superkingdom: Bacteria Kingdom: not available Genus/species: Klebsiella oxytoca
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: SEEPSTVIMREAARHGLTIV
RLQPQGSRLSLTVQPADFQA
LMAWLDALGQAGMTTATLAV
TAVAQQPGWVTVNTLVLERS
DEK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 311 |
| 15N chemical shifts | 78 |
| 1H chemical shifts | 437 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
| 2 | unit_2 | 1 |
Entities:
Entity 1, unit_1 83 residues - 8938.165 Da.
| 1 | SER | GLU | GLU | PRO | SER | THR | VAL | ILE | MET | ARG | ||||
| 2 | GLU | ALA | ALA | ARG | HIS | GLY | LEU | THR | ILE | VAL | ||||
| 3 | ARG | LEU | GLN | PRO | GLN | GLY | SER | ARG | LEU | SER | ||||
| 4 | LEU | THR | VAL | GLN | PRO | ALA | ASP | PHE | GLN | ALA | ||||
| 5 | LEU | MET | ALA | TRP | LEU | ASP | ALA | LEU | GLY | GLN | ||||
| 6 | ALA | GLY | MET | THR | THR | ALA | THR | LEU | ALA | VAL | ||||
| 7 | THR | ALA | VAL | ALA | GLN | GLN | PRO | GLY | TRP | VAL | ||||
| 8 | THR | VAL | ASN | THR | LEU | VAL | LEU | GLU | ARG | SER | ||||
| 9 | ASP | GLU | LYS |
Samples:
sample_1: PulM, [U-100% 13C; U-100% 15N], 400 uM; Hepes 50 mM; sodium chloride 50 mM
sample_2: PulM, 50% [13C, 15N] and 50% [12C, 14N], 400 uM; Hepes 50 mM; sodium chloride 50 mM
sample_conditions_1: ionic strength: 50 mM; 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 HMQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 13C/15N-filtered NOESY | sample_2 | isotropic | sample_conditions_1 |
| 2D HBCBCGCDHD | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACO | sample_1 | isotropic | sample_conditions_1 |
| 2D HBCBCGCDCEHE | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
ARIA, Linge, O'Donoghue and Nilges - structure calculation
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
TopSpin, Bruker Biospin - processing
NMR spectrometers:
- Bruker AVANCE NEO 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts