BMRB Entry 17283
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17283
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Title: Sequence-specific 1H, 13C and 15N assignments of the phosphoesterase (PE) domain of Pseudomonas aeruginosa DNA ligase D (LigD) PubMed: 21213076
Deposition date: 2010-11-03 Original release date: 2011-01-18
Authors: Dutta, Kaushik; Natarajan, Aswin; Ghose, Ranajeet
Citation: Dutta, Kaushik; Natarajan, Aswin; Nair, Pravin; Shuman, Stewart; Ghose, Ranajeet. "Sequence-specific 1H, 13C and 15N assignments of the phosphoesterase (PE) domain of Pseudomonas aeruginosa DNA ligase D (LigD)." Biomol. NMR Assignments 5, 151-155 (2011).
Assembly members:
Pae177, polymer, 177 residues, Formula weight is not available
Natural source: Common Name: Pseudomonas aeruginosa Taxonomy ID: 287 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Pae177: MPSSKPLAEYARKRDFRQTP
EPSGRKPRKDSTGLLRYCVQ
KHDASRLHYDFRLELDGTLK
SWAVPKGPCLDPAVKRLAVQ
VEDHPLDYADFEGSIPQGHY
GAGDVIVWDRGAWTPLDDPR
EGLEKGHLSFALDGEKLSGR
WHLIRTNLRGKQSQWFLVKA
KDGEARSLDRFDVLKER
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 580 |
| 15N chemical shifts | 150 |
| 1H chemical shifts | 840 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Pae177 | 1 |
Entities:
Entity 1, Pae177 177 residues - Formula weight is not available
| 1 | MET | PRO | SER | SER | LYS | PRO | LEU | ALA | GLU | TYR | ||||
| 2 | ALA | ARG | LYS | ARG | ASP | PHE | ARG | GLN | THR | PRO | ||||
| 3 | GLU | PRO | SER | GLY | ARG | LYS | PRO | ARG | LYS | ASP | ||||
| 4 | SER | THR | GLY | LEU | LEU | ARG | TYR | CYS | VAL | GLN | ||||
| 5 | LYS | HIS | ASP | ALA | SER | ARG | LEU | HIS | TYR | ASP | ||||
| 6 | PHE | ARG | LEU | GLU | LEU | ASP | GLY | THR | LEU | LYS | ||||
| 7 | SER | TRP | ALA | VAL | PRO | LYS | GLY | PRO | CYS | LEU | ||||
| 8 | ASP | PRO | ALA | VAL | LYS | ARG | LEU | ALA | VAL | GLN | ||||
| 9 | VAL | GLU | ASP | HIS | PRO | LEU | ASP | TYR | ALA | ASP | ||||
| 10 | PHE | GLU | GLY | SER | ILE | PRO | GLN | GLY | HIS | TYR | ||||
| 11 | GLY | ALA | GLY | ASP | VAL | ILE | VAL | TRP | ASP | ARG | ||||
| 12 | GLY | ALA | TRP | THR | PRO | LEU | ASP | ASP | PRO | ARG | ||||
| 13 | GLU | GLY | LEU | GLU | LYS | GLY | HIS | LEU | SER | PHE | ||||
| 14 | ALA | LEU | ASP | GLY | GLU | LYS | LEU | SER | GLY | ARG | ||||
| 15 | TRP | HIS | LEU | ILE | ARG | THR | ASN | LEU | ARG | GLY | ||||
| 16 | LYS | GLN | SER | GLN | TRP | PHE | LEU | VAL | LYS | ALA | ||||
| 17 | LYS | ASP | GLY | GLU | ALA | ARG | SER | LEU | ASP | ARG | ||||
| 18 | PHE | ASP | VAL | LEU | LYS | GLU | ARG |
Samples:
NMR_Sample_1: Pae177, [U-100% 15N], 300 uM; D20 10%; H20 90%; Bis-Tris 50 mM; NaCl 200 mM; DTT 5 mM
NMR_Sample_2: Pae177, [U-100% 13C; U-100% 15N], 300 uM; D20 10%; H20 90%; Bis-Tris 50 mM; NaCl 200 mM; DTT 5 mM
NMR_Sample_3: Pae177, [U-13C; U-15N; U-2H], 300 uM; D20 10%; H20 90%; Bis-Tris 50 mM; NaCl 200 mM; DTT 5 mM
NMR: ionic strength: 200 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | NMR_Sample_1 | isotropic | NMR |
| 2D 1H-15N HSQC | NMR_Sample_2 | isotropic | NMR |
| 2D 1H-15N HSQC | NMR_Sample_3 | isotropic | NMR |
| 3D HN(COCA)CB | NMR_Sample_1 | isotropic | NMR |
| 3D HNCACB | NMR_Sample_3 | isotropic | NMR |
| 3D C(CO)NH | NMR_Sample_1 | isotropic | NMR |
| 3D H(CCO)NH | NMR_Sample_1 | isotropic | NMR |
| 3D HNCO | NMR_Sample_3 | isotropic | NMR |
| 3D HNCA | NMR_Sample_3 | isotropic | NMR |
| 3D TROSY | NMR_Sample_3 | isotropic | NMR |
| 3D HNCOCACB | NMR_Sample_3 | isotropic | NMR |
| 3D HNCOCA | NMR_Sample_3 | isotropic | NMR |
| 3D HNCACO | NMR_Sample_3 | isotropic | NMR |
| 3D CC(CO)NH | NMR_Sample_2 | isotropic | NMR |
| 3D HC(CO)NH | NMR_Sample_2 | isotropic | NMR |
| 3D HBHACONH | NMR_Sample_2 | isotropic | NMR |
Software:
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMR spectrometers:
- Bruker Avance 900 MHz
- Bruker Avance 800 MHz
- Bruker Avance 700 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAK89966 BAP23425 BAP51031 BAQ40184 BAR68071 |
| EMBL | CAW27916 CDH77490 CDM46092 CDO81319 CEI20600 |
| GB | AAG05526 ABJ11315 AEO75385 AFM65275 AGI81805 |
| REF | NP_250828 WP_003109866 WP_003113639 WP_003124692 WP_003158695 |
| SP | Q9I1X7 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts