BMRB Entry 19615
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19615
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NMR-STAR v3 text file.
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Citation: Rasheed, Masooma; Richter, Christine; Chisty, Liisa; Kirkpatrick, John; Blackledge, Martin; Webb, Martin; Driscoll, Paul. "Ligand-dependent dynamics of the active-site lid in bacterial dimethylarginine dimethylaminohydrolase." Biochemistry 53, 1092-1104 (2014).
PubMed: 24484052
Assembly members:
PaDDAH_TM, polymer, 254 residues, 28404.2231 Da.
Natural source: Common Name: Pseudomonas aeruginosa PAO1 Taxonomy ID: 287 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa
Experimental source: Production method: recombinant technology Host organism: Pseudomonas aeruginosa Vector: pPROEX-HTa
Entity Sequences (FASTA):
PaDDAH_TM: MFKHIIARTPARSLVDGLTS
SHLGKPDYAKALEQHNAYIE
ALQTCDVDITLLPPDERFPD
SVFVEDPVLCTSRCAIITRP
GAESRRGETEIIEETVQHFY
PGKVERIEAPGTVEAGDIMM
VGDHFYIGESARTNAEGARQ
MIAILEKHGLSGSVVRLEKV
LHLKTGLAYLEHNNLLAAGE
FVSKPEFQDFNIIEIPEEES
YAANCIWVNERVIMPAGYPR
TREKIARLGYRVIEVDTSEY
RKIDGGVSSMSLRF
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 481 |
| 15N chemical shifts | 235 |
| 1H chemical shifts | 243 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PaDDAH_TM | 1 |
Entities:
Entity 1, PaDDAH_TM 254 residues - 28404.2231 Da.
| 1 | MET | PHE | LYS | HIS | ILE | ILE | ALA | ARG | THR | PRO | ||||
| 2 | ALA | ARG | SER | LEU | VAL | ASP | GLY | LEU | THR | SER | ||||
| 3 | SER | HIS | LEU | GLY | LYS | PRO | ASP | TYR | ALA | LYS | ||||
| 4 | ALA | LEU | GLU | GLN | HIS | ASN | ALA | TYR | ILE | GLU | ||||
| 5 | ALA | LEU | GLN | THR | CYS | ASP | VAL | ASP | ILE | THR | ||||
| 6 | LEU | LEU | PRO | PRO | ASP | GLU | ARG | PHE | PRO | ASP | ||||
| 7 | SER | VAL | PHE | VAL | GLU | ASP | PRO | VAL | LEU | CYS | ||||
| 8 | THR | SER | ARG | CYS | ALA | ILE | ILE | THR | ARG | PRO | ||||
| 9 | GLY | ALA | GLU | SER | ARG | ARG | GLY | GLU | THR | GLU | ||||
| 10 | ILE | ILE | GLU | GLU | THR | VAL | GLN | HIS | PHE | TYR | ||||
| 11 | PRO | GLY | LYS | VAL | GLU | ARG | ILE | GLU | ALA | PRO | ||||
| 12 | GLY | THR | VAL | GLU | ALA | GLY | ASP | ILE | MET | MET | ||||
| 13 | VAL | GLY | ASP | HIS | PHE | TYR | ILE | GLY | GLU | SER | ||||
| 14 | ALA | ARG | THR | ASN | ALA | GLU | GLY | ALA | ARG | GLN | ||||
| 15 | MET | ILE | ALA | ILE | LEU | GLU | LYS | HIS | GLY | LEU | ||||
| 16 | SER | GLY | SER | VAL | VAL | ARG | LEU | GLU | LYS | VAL | ||||
| 17 | LEU | HIS | LEU | LYS | THR | GLY | LEU | ALA | TYR | LEU | ||||
| 18 | GLU | HIS | ASN | ASN | LEU | LEU | ALA | ALA | GLY | GLU | ||||
| 19 | PHE | VAL | SER | LYS | PRO | GLU | PHE | GLN | ASP | PHE | ||||
| 20 | ASN | ILE | ILE | GLU | ILE | PRO | GLU | GLU | GLU | SER | ||||
| 21 | TYR | ALA | ALA | ASN | CYS | ILE | TRP | VAL | ASN | GLU | ||||
| 22 | ARG | VAL | ILE | MET | PRO | ALA | GLY | TYR | PRO | ARG | ||||
| 23 | THR | ARG | GLU | LYS | ILE | ALA | ARG | LEU | GLY | TYR | ||||
| 24 | ARG | VAL | ILE | GLU | VAL | ASP | THR | SER | GLU | TYR | ||||
| 25 | ARG | LYS | ILE | ASP | GLY | GLY | VAL | SER | SER | MET | ||||
| 26 | SER | LEU | ARG | PHE |
Samples:
Sample1: PaDDAH_TM, [U-100% 13C; U-100% 15N], 700.0 ± 0.05 mM; sodium phosphate 20 mM; NaCl 100 mM; H2O 90%; D2O, [U-100% 2H], 10%
condition1: ionic strength: 0.100 M; pH: 7.000; pressure: 1.000 atm; temperature: 298.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCA | Sample1 | isotropic | condition1 |
| 3D HN(CO)CA | Sample1 | isotropic | condition1 |
| 3D HNCACB | Sample1 | isotropic | condition1 |
| 3D CBCA(CO)NH | Sample1 | isotropic | condition1 |
| 2D 1H-15N HSQC/HMQC | Sample1 | isotropic | condition1 |
Software:
ANALYSIS v2.1, CCPN - Assignment
NMRPipe v7.3, Frank Delaglio - Processing
NMR spectrometers:
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks