BMRB Entry 19047
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PDB ID: 2m5c
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19047
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Karsisiotis, Andreas Ioannis; Damblon, Christian; Roberts, Gordon. "Complete 1H, 15N and 13C resonance assignments of Bacillus cereus metallo-beta-lactamase and its complex with the inhibitor R-thiomandelic acid" Biomol. NMR Assign. ., .-. (2013).
PubMed: 23838816
Assembly members:
BcII, polymer, 227 residues, 24995.738 Da.
ZINC ION, non-polymer, 65.409 Da.
Natural source: Common Name: Firmicutes Taxonomy ID: 1396 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus cereus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET9a/BCII
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 710 |
| 15N chemical shifts | 235 |
| 1H chemical shifts | 3129 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | BcII | 1 |
| 2 | ZINC ION_1 | 2 |
| 3 | ZINC ION_2 | 2 |
Entities:
Entity 1, BcII 227 residues - 24995.738 Da.
| 1 | SER | GLN | LYS | VAL | GLU | LYS | THR | VAL | ILE | LYS | ||||
| 2 | ASN | GLU | THR | GLY | THR | ILE | SER | ILE | SER | GLN | ||||
| 3 | LEU | ASN | LYS | ASN | VAL | TRP | VAL | HIS | THR | GLU | ||||
| 4 | LEU | GLY | SER | PHE | ASN | GLY | GLU | ALA | VAL | PRO | ||||
| 5 | SER | ASN | GLY | LEU | VAL | LEU | ASN | THR | SER | LYS | ||||
| 6 | GLY | LEU | VAL | LEU | VAL | ASP | SER | SER | TRP | ASP | ||||
| 7 | ASP | LYS | LEU | THR | LYS | GLU | LEU | ILE | GLU | MET | ||||
| 8 | VAL | GLU | LYS | LYS | PHE | GLN | LYS | ARG | VAL | THR | ||||
| 9 | ASP | VAL | ILE | ILE | THR | HIS | ALA | HIS | ALA | ASP | ||||
| 10 | ARG | ILE | GLY | GLY | ILE | LYS | THR | LEU | LYS | GLU | ||||
| 11 | ARG | GLY | ILE | LYS | ALA | HIS | SER | THR | ALA | LEU | ||||
| 12 | THR | ALA | GLU | LEU | ALA | LYS | LYS | ASN | GLY | TYR | ||||
| 13 | GLU | GLU | PRO | LEU | GLY | ASP | LEU | GLN | THR | VAL | ||||
| 14 | THR | ASN | LEU | LYS | PHE | GLY | ASN | MET | LYS | VAL | ||||
| 15 | GLU | THR | PHE | TYR | PRO | GLY | LYS | GLY | HIS | THR | ||||
| 16 | GLU | ASP | ASN | ILE | VAL | VAL | TRP | LEU | PRO | GLN | ||||
| 17 | TYR | ASN | ILE | LEU | VAL | GLY | GLY | CYS | LEU | VAL | ||||
| 18 | LYS | SER | THR | SER | ALA | LYS | ASP | LEU | GLY | ASN | ||||
| 19 | VAL | ALA | ASP | ALA | TYR | VAL | ASN | GLU | TRP | SER | ||||
| 20 | THR | SER | ILE | GLU | ASN | VAL | LEU | LYS | ARG | TYR | ||||
| 21 | ARG | ASN | ILE | ASN | ALA | VAL | VAL | PRO | GLY | HIS | ||||
| 22 | GLY | GLU | VAL | GLY | ASP | LYS | GLY | LEU | LEU | LEU | ||||
| 23 | HIS | THR | LEU | ASP | LEU | LEU | LYS |
Entity 2, ZINC ION_1 - Zn - 65.409 Da.
| 1 | ZN |