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 15206

Title: Differences in the electrostatic surfaces of the type III secretion needle proteins   PubMed: 17617421

Authors: Wang, Yu; Ouellette, Andrew; Egan, Chet; De Guzman, Roberto

Citation: Wang, Yu; Ouellette, Andrew; Egana, Chet; Rathinavelana, Thenmalarchelvi; Ima, Wonpil; De Guzman, Roberto. "Differences in the electrostatic surfaces of the type III secretion needle proteins PrgI, BsaL, and MxiH."  J. Mol. Biol. 371, 1304-1314 (2007).

Assembly members:
needle monomer, polymer, 83 residues, 9279.383 Da.

Natural source:   Common Name: Salmonella typhimurium   Taxonomy ID: 602   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Salmonella typhimurium

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
needle monomer: MATPWSGYLDDVSAKFDTGV DNLQTQVTEALDKLAAKPSD PALLAAYQSKLSEYNLYRNA QSNTVKVFKDIDAAILEHHH HHH

Data sets:
Data typeCount
13C chemical shifts297
15N chemical shifts71
1H chemical shifts477

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1needle monomer1

Entities:

Entity 1, needle monomer 83 residues - 9279.383 Da.

1   METALATHRPROTRPSERGLYTYRLEUASP
2   ASPVALSERALALYSPHEASPTHRGLYVAL
3   ASPASNLEUGLNTHRGLNVALTHRGLUALA
4   LEUASPLYSLEUALAALALYSPROSERASP
5   PROALALEULEUALAALATYRGLNSERLYS
6   LEUSERGLUTYRASNLEUTYRARGASNALA
7   GLNSERASNTHRVALLYSVALPHELYSASP
8   ILEASPALAALAILELEUGLUHISHISHIS
9   HISHISHIS

Samples:

sample_1: entity 0.8 mM

sample_conditions_1: ionic strength: 70 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

NMRView, Johnson, One Moon Scientific - data analysis

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
GB AHS51581 ERF90330 ERG01985 KLT33237 KMJ71568