BMRB Entry 4102
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR4102
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Citation: Scrofani, Sergio; Wright, Peter; Dyson, Jane. "1H, 13C and 15N NMR Backbone Assignments of 25.5 kDa Metallo-b-lactamase
from Bacteroides fragilis" J. Biomol. NMR 12, 201-202 (1998).
Assembly members:
metallo-beta-lactamase, polymer, 232 residues, 25500 Da.
ZINC ION, non-polymer, 65.409 Da.
Natural source: Common Name: B. fragilis Taxonomy ID: 817 Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacteroides fragilis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 657 |
| 15N chemical shifts | 213 |
| 1H chemical shifts | 435 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | CcrA | 1 |
| 2 | Zn1 | 2 |
| 3 | Zn2 | 2 |
Entities:
Entity 1, CcrA 232 residues - 25500 Da.
| 1 | ALA | GLN | LYS | SER | VAL | LYS | ILE | SER | ASP | ASP | ||||
| 2 | ILE | SER | ILE | THR | GLN | LEU | SER | ASP | LYS | VAL | ||||
| 3 | TYR | THR | TYR | VAL | SER | LEU | ALA | GLU | ILE | GLU | ||||
| 4 | GLY | TRP | GLY | MET | VAL | PRO | SER | ASN | GLY | MET | ||||
| 5 | ILE | VAL | ILE | ASN | ASN | HIS | GLN | ALA | ALA | LEU | ||||
| 6 | LEU | ASP | THR | PRO | ILE | ASN | ASP | ALA | GLN | THR | ||||
| 7 | GLU | MET | LEU | VAL | ASN | TRP | VAL | THR | ASP | SER | ||||
| 8 | LEU | HIS | ALA | LYS | VAL | THR | THR | PHE | ILE | PRO | ||||
| 9 | ASP | HIS | TRP | HIS | GLY | ASP | CYS | LEU | GLY | GLY | ||||
| 10 | LEU | GLY | TYR | LEU | GLN | ARG | LYS | GLY | VAL | GLN | ||||
| 11 | SER | TYR | ALA | ASN | GLN | MET | THR | ILE | ASP | LEU | ||||
| 12 | ALA | LYS | GLU | LYS | GLY | LEU | PRO | VAL | PRO | GLU | ||||
| 13 | HIS | GLY | PHE | THR | ASP | SER | LEU | THR | VAL | SER | ||||
| 14 | LEU | ASP | GLY | MET | PRO | LEU | GLN | CYS | TYR | TYR | ||||
| 15 | LEU | GLY | GLY | GLY | HIS | ALA | THR | ASP | ASN | ILE | ||||
| 16 | VAL | VAL | TRP | LEU | PRO | THR | GLU | ASN | ILE | LEU | ||||
| 17 | PHE | GLY | GLY | CYS | MET | LEU | LYS | ASP | ASN | GLN | ||||
| 18 | ALA | THR | SER | ILE | GLY | ASN | ILE | SER | ASP | ALA | ||||
| 19 | ASP | VAL | THR | ALA | TRP | PRO | LYS | THR | LEU | ASP | ||||
| 20 | LYS | VAL | LYS | ALA | LYS | PHE | PRO | SER | ALA | ARG | ||||
| 21 | TYR | VAL | VAL | PRO | GLY | HIS | GLY | ASP | TYR | GLY | ||||
| 22 | GLY | THR | GLU | LEU | ILE | GLU | HIS | THR | LYS | GLN | ||||
| 23 | ILE | VAL | ASN | GLN | TYR | ILE | GLU | SER | THR | SER | ||||
| 24 | LYS | PRO |
Entity 2, Zn1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_one: metallo-beta-lactamase, [U-15N], 0.2 – 1.0 mM; HEPES 10 mM; zinc chloride 10 uM; sodium azide 0.01%; D2O 5%; H2O 95%
sample_two: metallo-beta-lactamase, [U-13C; U-15N], 0.5 – 1.0 mM; HEPES 10 mM; zinc chloride 10 uM; sodium azide 0.01%; D2O 5%; H2O 95%
sample_three: metallo-beta-lactamase, [86%-2H; U-13C; U-15N], 0.8 mM; sodium phosphate 120 mM; D2O 5%; H2O 95%
sample_conditions: pH: 7.0; temperature: 295.0 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| not available | not available | not available | sample_conditions |
Software:
No software information available
NMR spectrometers:
- Bruker AMX500 500 MHz
- Bruker DMX600 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAC06841 BAC06842 BAC06843 BAC06844 BAC06845 |
| EMBL | CAH41960 CAQ87572 CAQ87573 CAQ87574 CAQ87575 |
| GB | AAA22904 AAA22907 AAM93063 AAR04097 AAR04099 |
| REF | WP_005780969 WP_005808062 WP_005821510 WP_015083750 WP_032536010 |
| SP | P25910 |
| AlphaFold | P25910 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks