BMRB Entry 17097
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17097
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Title: Electrochemical and NMR spectroscopic studies of distal pocket mutants of nitrophorin 2: Stablility, structure, and dynamics of axial ligand complexes PubMed: 12642672
Deposition date: 2010-08-02 Original release date: 2010-11-10
Authors: Shokhireva, Tatjana; Berry, Robert; Uno, Elizabeth; Balfour, Celia; Zhang, Hongjun; Walker, F.
Citation: Shokhireva, Tatjana; Berry, Robert; Uno, Elizabeth; Balfour, Celia; Zhang, Hongjun; Walker, F.. "Electrochemical and NMR spectroscopic studies of distal pocket mutants of nitrophorin 2: Stability, structure, and dynamics of acial ligand complexes" Proc. Natl. Acad. Sci. U.S.A. 100, 3778-3783 (2003).
Assembly members:
NP2(L122V), polymer, 179 residues, Formula weight is not available
IMD, non-polymer, 69.085 Da.
2MZ, non-polymer, 82.104 Da.
Natural source: Common Name: Rhodnius prolixus Taxonomy ID: 13249 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rhodnius prolixus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: na
Entity Sequences (FASTA):
NP2(L122V): DCSTNISPKQGLDKAKYFSG
KWYVTHFLDKDPQVTDQYCS
SFTPRESDGTVKEALYHYNA
NKKTSFYNIGEGKLESSGLQ
YTAKYKTVDKKKAVLKEADE
KNSYTLTVLEADDSSALVHI
CVREGSKDLGDLYTVLTHQK
DAEPSAKVKSAVTQAGLQLS
QFVGTKDLGCQYDDQFTSL
- chemical_rates
| Data type | Count |
| kinetic rates | 2 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | NP2(L122V) | 1 |
| 2 | IMD | 2 |
| 3 | 2-METHYLIMIDAZOLE | 3 |
Entities:
Entity 1, NP2(L122V) 179 residues - Formula weight is not available
| 1 | ASP | CYS | SER | THR | ASN | ILE | SER | PRO | LYS | GLN | ||||
| 2 | GLY | LEU | ASP | LYS | ALA | LYS | TYR | PHE | SER | GLY | ||||
| 3 | LYS | TRP | TYR | VAL | THR | HIS | PHE | LEU | ASP | LYS | ||||
| 4 | ASP | PRO | GLN | VAL | THR | ASP | GLN | TYR | CYS | SER | ||||
| 5 | SER | PHE | THR | PRO | ARG | GLU | SER | ASP | GLY | THR | ||||
| 6 | VAL | LYS | GLU | ALA | LEU | TYR | HIS | TYR | ASN | ALA | ||||
| 7 | ASN | LYS | LYS | THR | SER | PHE | TYR | ASN | ILE | GLY | ||||
| 8 | GLU | GLY | LYS | LEU | GLU | SER | SER | GLY | LEU | GLN | ||||
| 9 | TYR | THR | ALA | LYS | TYR | LYS | THR | VAL | ASP | LYS | ||||
| 10 | LYS | LYS | ALA | VAL | LEU | LYS | GLU | ALA | ASP | GLU | ||||
| 11 | LYS | ASN | SER | TYR | THR | LEU | THR | VAL | LEU | GLU | ||||
| 12 | ALA | ASP | ASP | SER | SER | ALA | LEU | VAL | HIS | ILE | ||||
| 13 | CYS | VAL | ARG | GLU | GLY | SER | LYS | ASP | LEU | GLY | ||||
| 14 | ASP | LEU | TYR | THR | VAL | LEU | THR | HIS | GLN | LYS | ||||
| 15 | ASP | ALA | GLU | PRO | SER | ALA | LYS | VAL | LYS | SER | ||||
| 16 | ALA | VAL | THR | GLN | ALA | GLY | LEU | GLN | LEU | SER | ||||
| 17 | GLN | PHE | VAL | GLY | THR | LYS | ASP | LEU | GLY | CYS | ||||
| 18 | GLN | TYR | ASP | ASP | GLN | PHE | THR | SER | LEU |
Entity 2, IMD - C3 H5 N2 - 69.085 Da.
| 1 | IMD |
Entity 3, 2-METHYLIMIDAZOLE - C4 H6 N2 - 82.104 Da.
| 1 | 2MZ |
Samples:
sample_1: NP23 – 6 mM; phosphate buffer 30 mM; IMD titrated mM; D2O 100%
sample_2: NP23 – 6 mM; phosphate buffer 30 mM; 2MZ 1 M; D2O 100%
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 296.65 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
HEME_METHYL_SHIFT_PATTERNS, na - heme methyl assignments
NMR spectrometers:
- Bruker DRX 500 MHz