BMRB Entry 51702
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51702
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: van Alen, Ilona; Chikunova, Aleksandra; van Zanten, Danny; de Block, Amber; Timmer, Monika; Brunle, Steffen; Ubbink, Marcellus. "Asp179 in the class A beta-lactamase from Mycobacterium tuberculosis is a conserved yet not essential residue due to epistasis" FEBS J. 290, 4933-4949 (2023).
PubMed: 37335937
Assembly members:
entity_1, polymer, 268 residues, 28474 Da.
Natural source: Common Name: Mycobacterium tuberculosis Taxonomy ID: 1773 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a
Entity Sequences (FASTA):
entity_1: SGGDLADRFAELERRYDARL
GVYVPATGTTAAIEYRADER
FAFCSTFKAPLVAAVLHQNP
LTHLDKLITYTSDDIRSISP
VAQQHVQTGMTIGQLCDAAI
RYSDGTAANLLLADLGGPGG
GTAAFTGYLRSLGDTVSRLD
AEEPELNRDPPGDERNTTTP
HAIALVLQQLVLGNALPPDK
RALLTDWMARNTTGAKRIRA
GFPADWKVIDKTGTGDYGRA
NDIAVVWSPTGVPYVVAVMS
DRAGGGYDAEPREALLAEAA
TCVAGVLA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 261 |
| 15N chemical shifts | 245 |
| 1H chemical shifts | 243 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | BlaC D179N | 1 |
Entities:
Entity 1, BlaC D179N 268 residues - 28474 Da.
Ambler standardised numbering for class A beta-lactamases
| 1 | SER | GLY | GLY | ASP | LEU | ALA | ASP | ARG | PHE | ALA | ||||
| 2 | GLU | LEU | GLU | ARG | ARG | TYR | ASP | ALA | ARG | LEU | ||||
| 3 | GLY | VAL | TYR | VAL | PRO | ALA | THR | GLY | THR | THR | ||||
| 4 | ALA | ALA | ILE | GLU | TYR | ARG | ALA | ASP | GLU | ARG | ||||
| 5 | PHE | ALA | PHE | CYS | SER | THR | PHE | LYS | ALA | PRO | ||||
| 6 | LEU | VAL | ALA | ALA | VAL | LEU | HIS | GLN | ASN | PRO | ||||
| 7 | LEU | THR | HIS | LEU | ASP | LYS | LEU | ILE | THR | TYR | ||||
| 8 | THR | SER | ASP | ASP | ILE | ARG | SER | ILE | SER | PRO | ||||
| 9 | VAL | ALA | GLN | GLN | HIS | VAL | GLN | THR | GLY | MET | ||||
| 10 | THR | ILE | GLY | GLN | LEU | CYS | ASP | ALA | ALA | ILE | ||||
| 11 | ARG | TYR | SER | ASP | GLY | THR | ALA | ALA | ASN | LEU | ||||
| 12 | LEU | LEU | ALA | ASP | LEU | GLY | GLY | PRO | GLY | GLY | ||||
| 13 | GLY | THR | ALA | ALA | PHE | THR | GLY | TYR | LEU | ARG | ||||
| 14 | SER | LEU | GLY | ASP | THR | VAL | SER | ARG | LEU | ASP | ||||
| 15 | ALA | GLU | GLU | PRO | GLU | LEU | ASN | ARG | ASP | PRO | ||||
| 16 | PRO | GLY | ASP | GLU | ARG | ASN | THR | THR | THR | PRO | ||||
| 17 | HIS | ALA | ILE | ALA | LEU | VAL | LEU | GLN | GLN | LEU | ||||
| 18 | VAL | LEU | GLY | ASN | ALA | LEU | PRO | PRO | ASP | LYS | ||||
| 19 | ARG | ALA | LEU | LEU | THR | ASP | TRP | MET | ALA | ARG | ||||
| 20 | ASN | THR | THR | GLY | ALA | LYS | ARG | ILE | ARG | ALA | ||||
| 21 | GLY | PHE | PRO | ALA | ASP | TRP | LYS | VAL | ILE | ASP | ||||
| 22 | LYS | THR | GLY | THR | GLY | ASP | TYR | GLY | ARG | ALA | ||||
| 23 | ASN | ASP | ILE | ALA | VAL | VAL | TRP | SER | PRO | THR | ||||
| 24 | GLY | VAL | PRO | TYR | VAL | VAL | ALA | VAL | MET | SER | ||||
| 25 | ASP | ARG | ALA | GLY | GLY | GLY | TYR | ASP | ALA | GLU | ||||
| 26 | PRO | ARG | GLU | ALA | LEU | LEU | ALA | GLU | ALA | ALA | ||||
| 27 | THR | CYS | VAL | ALA | GLY | VAL | LEU | ALA |
Samples:
sample_1: BlaC D179N, [U-100% 13C; U-100% 15N], 1 mM; NaPi 100 mM
sample_conditions_1: pH: 6.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v4.0.6 - collection, processing
CcpNMR v2.4.0 - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker Avance 850 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks