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 15386

Title: Solution NMR structure of PefI protein from Salmonella typhimurium. Northeast Structural Genomics target StR82.   PubMed: 20979070

Authors: Aramini, James; Rossi, Paolo; Wang, Huang; Nwosu, Chioma; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Micheal; Swapna, Gurla; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano

Citation: Aramini, James; Rossi, Paolo; Cort, John; Ma, Li-Chung; Xiao, Rong; Acton, Thomas; Montelione, Gaetano. "Solution NMR structure of the plasmid-encoded fimbriae regulatory protein PefI from Salmonella enterica serovar Typhimurium."  Proteins 79, 335-339 (2011).

Assembly members:
Str82, polymer, 77 residues, 8689.014 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):
Str82: MSESIVTKIISIVQERQNMD DGAPVKTRDIADAAGLSIYQ VRLYLEQLHDVGVLEKVNAG KGVPGLWRLLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts317
15N chemical shifts75
1H chemical shifts514

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1str821

Entities:

Entity 1, str82 77 residues - 8689.014 Da.

C-terminal EHHHHHH tag starting at residue 71.

1   METSERGLUSERILEVALTHRLYSILEILE
2   SERILEVALGLNGLUARGGLNASNMETASP
3   ASPGLYALAPROVALLYSTHRARGASPILE
4   ALAASPALAALAGLYLEUSERILETYRGLN
5   VALARGLEUTYRLEUGLUGLNLEUHISASP
6   VALGLYVALLEUGLULYSVALASNALAGLY
7   LYSGLYVALPROGLYLEUTRPARGLEULEU
8   GLUHISHISHISHISHISHIS

Samples:

sample_1: Str82, [U-100% 13C; U-100% 15N], 0.72 mM; ammonium acetate 20 mM; sodium chloride 450 mM; DTT 10 mM; calcium chloride 5 mM; sodium azide 0.02%; H2O 95%; D2O 5%

sample_2: Str82, [U-5% 13C; U-100% 15N], 0.46 mM; ammonium acetate 20 mM; sodium chloride 450 mM; DTT 10 mM; calcium chloride 5 mM; sodium azide 0.02%; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 450 mM; pH: 5.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC (aliph)sample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D simultaneous CN-NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC (arom)sample_1isotropicsample_conditions_1
2D 1H-13C HSQC stereospecific Leu/Val methylsample_2isotropicsample_conditions_1

Software:

TOPSPIN v1.3, Bruker Biospin - collection

AutoAssign v2.4.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - data analysis

PSVS v1.3, Bhattacharya and Montelione - structure validation

PDBStat v5.0, Tejero and Montelione - PDB analysis

Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Th - structure validation

MolProbity, Richardson - structure validation

Molmol v2K-2, Koradi, Billeter and Wuthrich - structure visualization

SPARKY v3.110, Goddard - data analysis

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAJ39680
EMBL CAQ51408 CBA11337 CCF76797 CCW77296 CDM74116
GB AAC36964 AAL23517 ACY86448 ADX20475 AEF10470
REF NP_490505 WP_000004313 WP_050195597 YP_003264374 YP_008997526