BMRB Entry 18326
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18326
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Title: 1H, 13C, and 15N resonance assignments of Ni(II)-NmtR PubMed: 22618866
Deposition date: 2012-03-13 Original release date: 2012-06-05
Authors: Lee, Chul Won; Giedroc, David
Citation: Lee, Chul Won; Giedroc, David. "1H, 13C, and 15N resonance assignments of NmtR, a Ni(II)/Co(II) metalloregulatory protein of Mycobacterium tuberculosis." Biomol. NMR Assignments 7, 145-148 (2013).
Assembly members:
entity_NmtR, polymer, 119 residues, 12720.436 Da.
entity_NI, non-polymer, 58.693 Da.
Natural source: Common Name: High GC Gram+ Taxonomy ID: 1773 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_NmtR: GHGVEGRNRPSAPLDSQAAA
QVASTLQALATPSRLMILTQ
LRNGPLPVTDLAEAIGMEQS
AVSHQLRVLRNLGLVVGDRA
GRSIVYSLYDTHVAQLLDEA
IYHSEHLHLGLSDRHPSAG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 69 |
| 15N chemical shifts | 81 |
| 1H chemical shifts | 81 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NmtR, chain 1 | 1 |
| 2 | NmtR, chain 2 | 1 |
| 3 | Ni (II), 1 | 2 |
| 4 | Ni (II), 2 | 2 |
Entities:
Entity 1, NmtR, chain 1 119 residues - 12720.436 Da.
| 1 | GLY | HIS | GLY | VAL | GLU | GLY | ARG | ASN | ARG | PRO | ||||
| 2 | SER | ALA | PRO | LEU | ASP | SER | GLN | ALA | ALA | ALA | ||||
| 3 | GLN | VAL | ALA | SER | THR | LEU | GLN | ALA | LEU | ALA | ||||
| 4 | THR | PRO | SER | ARG | LEU | MET | ILE | LEU | THR | GLN | ||||
| 5 | LEU | ARG | ASN | GLY | PRO | LEU | PRO | VAL | THR | ASP | ||||
| 6 | LEU | ALA | GLU | ALA | ILE | GLY | MET | GLU | GLN | SER | ||||
| 7 | ALA | VAL | SER | HIS | GLN | LEU | ARG | VAL | LEU | ARG | ||||
| 8 | ASN | LEU | GLY | LEU | VAL | VAL | GLY | ASP | ARG | ALA | ||||
| 9 | GLY | ARG | SER | ILE | VAL | TYR | SER | LEU | TYR | ASP | ||||
| 10 | THR | HIS | VAL | ALA | GLN | LEU | LEU | ASP | GLU | ALA | ||||
| 11 | ILE | TYR | HIS | SER | GLU | HIS | LEU | HIS | LEU | GLY | ||||
| 12 | LEU | SER | ASP | ARG | HIS | PRO | SER | ALA | GLY |
Entity 2, Ni (II), 1 - Ni - 58.693 Da.
| 1 | NI |
Samples:
sample_1: Ni(II)-bound NmtR homedimer, [U-13C; U-15N], 0.5-1 mM
sample_2: Ni(II)-bound NmtR homedimer, [U-13C; U-15N], 0.5-1 mM
sample_conditions_1: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMRJ, Varian - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Related Database Links:
| BMRB | 18003 |
| PDB | |
| DBJ | BAH28075 BAL67871 BAQ07970 GAA43630 |
| EMBL | CAL73793 CCC28822 CCC46095 CCC66360 CCE39167 |
| GB | AAK48216 ABQ75571 ABR08101 ACT26897 AEB05941 |
| REF | NP_218261 NP_857407 WP_003901716 WP_003906203 WP_031667682 |
| SP | O69711 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts