BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15246

Title: chemical shift assignments of PA4090 from Pseudomonas aeruginosa

Deposition date: 2007-05-13 Original release date: 2009-10-09

Authors: Ai, Xuanjun; Semesi, Anthony; Yee, Adelinda; Arrowsmith, Cheryl; Li, Shawn; Choy, Wing-Yiu

Citation: Ai, Xuanjun; Semesi, Anthony; Yee, Adelinda; Arrowsmith, Cheryl; Choy, Wing-Yiu; Li, Shawn. "chemical shift assignments of PA4090 from Pseudomonas aeruginosa"  Proteins: Struct. Funct. Genet. ., .-..

Assembly members:
PA4090, polymer, 118 residues, 11021.414 Da.

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):
PA4090: MGTSHHHHHHSSGRENLYFQ GHMFRSTSHVRTESAARYVN RLCKHWGHKFEVELTPERGF IDFGDSNCELLAHPDHVLMI LNSPDEDSLAHMQNVVADHL QRMANSESLEIAWQPAES

Data sets:
Data typeCount
13C chemical shifts363
15N chemical shifts88
1H chemical shifts496

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PA40901

Entities:

Entity 1, PA4090 118 residues - 11021.414 Da.

1   METGLYTHRSERHISHISHISHISHISHIS
2   SERSERGLYARGGLUASNLEUTYRPHEGLN
3   GLYHISMETPHEARGSERTHRSERHISVAL
4   ARGTHRGLUSERALAALAARGTYRVALASN
5   ARGLEUCYSLYSHISTRPGLYHISLYSPHE
6   GLUVALGLULEUTHRPROGLUARGGLYPHE
7   ILEASPPHEGLYASPSERASNCYSGLULEU
8   LEUALAHISPROASPHISVALLEUMETILE
9   LEUASNSERPROASPGLUASPSERLEUALA
10   HISMETGLNASNVALVALALAASPHISLEU
11   GLNARGMETALAASNSERGLUSERLEUGLU
12   ILEALATRPGLNPROALAGLUSER

Samples:

sample_1: entity, [U-99% 13C; U-99% 15N], 1.0 mM; MOPS 10 mM; NaCl 450 mM; Zn2+ 10 uM; DTT 10 mM; NaN3 0.01%; inhibitor mixture 1x w/v; benzamidine 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAK92112 BAP19994 BAP48856 BAQ37677 BAR65783
EMBL CAW25613 CCQ83823 CDH69171 CDH75295 CDI92571
GB AAG07477 AAT49433 ABJ13362 AEO73337 AFM63068
REF NP_252779 WP_003093387 WP_023085627 WP_024915557 WP_033936217

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts