BMRB Entry 27043
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27043
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Title: NMR resonance assignment of New Delhi Metallo-beta-lactamase PubMed: 28808891
Deposition date: 2017-03-05 Original release date: 2017-03-17
Authors: Xu, Guohua
Citation: Yao, Chendie; Wu, Qiong; Xu, Guohua; Li, Conggang. "NMR resonance assignment of New Delhi Metallo-beta-lactamase" Biomol. NMR Assignments 11, 239-242 (2017).
Assembly members:
NDM-1, polymer, 278 residues, Formula weight is not available
entity_ZN, non-polymer, 65.409 Da.
Natural source: Common Name: Superbacteria Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-21a
Entity Sequences (FASTA):
NDM-1: MELPNIMHPVAKLSTALAAA
LMLSGCMPGEIRPTIGQQME
TGDQRFGDLVFRQLAPNVWQ
HTSYLDMPGFGAVASNGLIV
RDGGRVLVVDTAWTDDQTAQ
ILNWIKQEINLPVALAVVTH
AHQDKMGGMDALHAAGIATY
ANALSNQLAPQEGMVAAQHS
LTFAANGWVEPATAPNFGPL
KVFYPGPGHTSDNITVGIDG
TDIAFGGCLIKDSKAKSLGN
LGDADTEHYAASARAFGAAF
PKASMIVMSHSAPDSRAAIT
HTARMADKLRLEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 383 |
| 15N chemical shifts | 182 |
| 1H chemical shifts | 182 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NDM-1 | 1 |
| 2 | Zn2+ | 2 |
Entities:
Entity 1, NDM-1 278 residues - Formula weight is not available
| 1 | MET | GLU | LEU | PRO | ASN | ILE | MET | HIS | PRO | VAL | ||||
| 2 | ALA | LYS | LEU | SER | THR | ALA | LEU | ALA | ALA | ALA | ||||
| 3 | LEU | MET | LEU | SER | GLY | CYS | MET | PRO | GLY | GLU | ||||
| 4 | ILE | ARG | PRO | THR | ILE | GLY | GLN | GLN | MET | GLU | ||||
| 5 | THR | GLY | ASP | GLN | ARG | PHE | GLY | ASP | LEU | VAL | ||||
| 6 | PHE | ARG | GLN | LEU | ALA | PRO | ASN | VAL | TRP | GLN | ||||
| 7 | HIS | THR | SER | TYR | LEU | ASP | MET | PRO | GLY | PHE | ||||
| 8 | GLY | ALA | VAL | ALA | SER | ASN | GLY | LEU | ILE | VAL | ||||
| 9 | ARG | ASP | GLY | GLY | ARG | VAL | LEU | VAL | VAL | ASP | ||||
| 10 | THR | ALA | TRP | THR | ASP | ASP | GLN | THR | ALA | GLN | ||||
| 11 | ILE | LEU | ASN | TRP | ILE | LYS | GLN | GLU | ILE | ASN | ||||
| 12 | LEU | PRO | VAL | ALA | LEU | ALA | VAL | VAL | THR | HIS | ||||
| 13 | ALA | HIS | GLN | ASP | LYS | MET | GLY | GLY | MET | ASP | ||||
| 14 | ALA | LEU | HIS | ALA | ALA | GLY | ILE | ALA | THR | TYR | ||||
| 15 | ALA | ASN | ALA | LEU | SER | ASN | GLN | LEU | ALA | PRO | ||||
| 16 | GLN | GLU | GLY | MET | VAL | ALA | ALA | GLN | HIS | SER | ||||
| 17 | LEU | THR | PHE | ALA | ALA | ASN | GLY | TRP | VAL | GLU | ||||
| 18 | PRO | ALA | THR | ALA | PRO | ASN | PHE | GLY | PRO | LEU | ||||
| 19 | LYS | VAL | PHE | TYR | PRO | GLY | PRO | GLY | HIS | THR | ||||
| 20 | SER | ASP | ASN | ILE | THR | VAL | GLY | ILE | ASP | GLY | ||||
| 21 | THR | ASP | ILE | ALA | PHE | GLY | GLY | CYS | LEU | ILE | ||||
| 22 | LYS | ASP | SER | LYS | ALA | LYS | SER | LEU | GLY | ASN | ||||
| 23 | LEU | GLY | ASP | ALA | ASP | THR | GLU | HIS | TYR | ALA | ||||
| 24 | ALA | SER | ALA | ARG | ALA | PHE | GLY | ALA | ALA | PHE | ||||
| 25 | PRO | LYS | ALA | SER | MET | ILE | VAL | MET | SER | HIS | ||||
| 26 | SER | ALA | PRO | ASP | SER | ARG | ALA | ALA | ILE | THR | ||||
| 27 | HIS | THR | ALA | ARG | MET | ALA | ASP | LYS | LEU | ARG | ||||
| 28 | LEU | GLU | HIS | HIS | HIS | HIS | HIS | HIS |
Entity 2, Zn2+ - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: NDM-1, [U-13C; U-15N], 0.3 mM; HEPES 50 mM
sample_conditions_1: ionic strength: 0 M; pH: 7.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY-HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D TROSY-HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D TROSY-HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D TROSY-HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D TROSY-HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - data analysis
NMR spectrometers:
- Bruker Avance 850 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts