BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 17283

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

Data sets:
Data typeCount
13C chemical shifts580
15N chemical shifts150
1H chemical shifts840

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Pae1771

Entities:

Entity 1, Pae177 177 residues - Formula weight is not available

1   METPROSERSERLYSPROLEUALAGLUTYR
2   ALAARGLYSARGASPPHEARGGLNTHRPRO
3   GLUPROSERGLYARGLYSPROARGLYSASP
4   SERTHRGLYLEULEUARGTYRCYSVALGLN
5   LYSHISASPALASERARGLEUHISTYRASP
6   PHEARGLEUGLULEUASPGLYTHRLEULYS
7   SERTRPALAVALPROLYSGLYPROCYSLEU
8   ASPPROALAVALLYSARGLEUALAVALGLN
9   VALGLUASPHISPROLEUASPTYRALAASP
10   PHEGLUGLYSERILEPROGLNGLYHISTYR
11   GLYALAGLYASPVALILEVALTRPASPARG
12   GLYALATRPTHRPROLEUASPASPPROARG
13   GLUGLYLEUGLULYSGLYHISLEUSERPHE
14   ALALEUASPGLYGLULYSLEUSERGLYARG
15   TRPHISLEUILEARGTHRASNLEUARGGLY
16   LYSGLNSERGLNTRPPHELEUVALLYSALA
17   LYSASPGLYGLUALAARGSERLEUASPARG
18   PHEASPVALLEULYSGLUARG

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNMR_Sample_1isotropicNMR
2D 1H-15N HSQCNMR_Sample_2isotropicNMR
2D 1H-15N HSQCNMR_Sample_3isotropicNMR
3D HN(COCA)CBNMR_Sample_1isotropicNMR
3D HNCACBNMR_Sample_3isotropicNMR
3D C(CO)NHNMR_Sample_1isotropicNMR
3D H(CCO)NHNMR_Sample_1isotropicNMR
3D HNCONMR_Sample_3isotropicNMR
3D HNCANMR_Sample_3isotropicNMR
3D TROSYNMR_Sample_3isotropicNMR
3D HNCOCACBNMR_Sample_3isotropicNMR
3D HNCOCANMR_Sample_3isotropicNMR
3D HNCACONMR_Sample_3isotropicNMR
3D CC(CO)NHNMR_Sample_2isotropicNMR
3D HC(CO)NHNMR_Sample_2isotropicNMR
3D HBHACONHNMR_Sample_2isotropicNMR

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