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 18555

Title: NMR solution structure of PA1075 from Pseudomonas Aeruginosa

Deposition date: 2012-06-29 Original release date: 2013-06-28

Authors: Sunnerhagen, Maria; Schnell, Robert; Andresen, Cecilia; Moshref, Ahmad; Schneider, Gunter

Citation: Sunnerhagen, Maria. "NMR solution structure of PA1075, an essential protein in Pseudomonas Aeruginosa"  Not known ., .-..

Assembly members:
entity, polymer, 108 residues, 11629.234 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):
entity: GSHMTEQTSTLYAKLLGETA VISWAELQPFFARGALLQVD AALDLVEVAEALAGDDREKV AAWLSGGGLSKVGEDAAKDF LERDPTLWAVVVAPWVVIQE RAEKATLH

Data sets:
Data typeCount
13C chemical shifts429
15N chemical shifts105
1H chemical shifts692

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PA10751

Entities:

Entity 1, PA1075 108 residues - 11629.234 Da.

1   GLYSERHISMETTHRGLUGLNTHRSERTHR
2   LEUTYRALALYSLEULEUGLYGLUTHRALA
3   VALILESERTRPALAGLULEUGLNPROPHE
4   PHEALAARGGLYALALEULEUGLNVALASP
5   ALAALALEUASPLEUVALGLUVALALAGLU
6   ALALEUALAGLYASPASPARGGLULYSVAL
7   ALAALATRPLEUSERGLYGLYGLYLEUSER
8   LYSVALGLYGLUASPALAALALYSASPPHE
9   LEUGLUARGASPPROTHRLEUTRPALAVAL
10   VALVALALAPROTRPVALVALILEGLNGLU
11   ARGALAGLULYSALATHRLEUHIS

Samples:

sample_1: PA1075, [U-100% 13C; U-100% 15N], 0.5-0.7 mM; TRIS 12.5 mM; sodium chloride 75 mM

sample_conditions_1: ionic strength: 165 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY, Goddard - data analysis

ABACUS, Lemak and Arrowsmith - chemical shift assignment, data analysis, structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

MDD, Orekhov - collection, processing

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 800 MHz

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