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 15341

Title: Solution Structure of Q5LLS5 from Silicibacter pomeroyi. Northeast Structural Genomics Consortium target SiR90.

Authors: Swapna, G.; Tejero, R; Jiang, M; Cunningham, K; Maglaqui, M; Owens, L; Liu, J.; Wang, H; Acton, T; Xiao, R; Baran, M; Rost, B; Montelione, G.

Citation: Swapna, G.; Tejero, R; Jiang, M; Cunningham, K; Maglaqui, M; Owens, L; Liu, J.; Baran, M; Acton, T; Xiao, R; Rost, B; Montelione, G.. "NMR solution Structure of Q5LLS5 from Silicibacter pomeroyi.Northeast Structural Genomics Consortium target SiR90"  Not known ., .-..

Assembly members:
SiR90, polymer, 67 residues, 7520.601 Da.

Natural source:   Common Name: Silicibacter pomeroyi   Taxonomy ID: 89184   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Silicibacter pomeroyi

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

Entity Sequences (FASTA):
SiR90: MTIQAPETKIVDKSRVACDG GEGALGHPRVWLQIPEDTGW VECPYCDCKYVLKGSKADAL EHHHHHH

Data sets:
Data typeCount
13C chemical shifts206
15N chemical shifts62
1H chemical shifts415

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1full length SiR901

Entities:

Entity 1, full length SiR90 67 residues - 7520.601 Da.

Residues 60-67 represent a non-native affinity purification tag (LEHHHHHH)

1   METTHRILEGLNALAPROGLUTHRLYSILE
2   VALASPLYSSERARGVALALACYSASPGLY
3   GLYGLUGLYALALEUGLYHISPROARGVAL
4   TRPLEUGLNILEPROGLUASPTHRGLYTRP
5   VALGLUCYSPROTYRCYSASPCYSLYSTYR
6   VALLEULYSGLYSERLYSALAASPALALEU
7   GLUHISHISHISHISHISHIS

Samples:

sample_1: SiR90, [5% 13C; U-100% 15N], 0.65 mM; Tris 10 mM; DTT 5 mM; NaCl 100 mM

sample_2: SiR90, [U-100% 13C; U-100% 15N], 0.65 mM; Tris 10 mM; DTT 5 mM; NaCl 100 mM

sample_3: SiR90, [U-100% 13C; U-100% 15N], 0.65 mM; Tris 10 mM; DTT 5 mM; NaCl 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

sample_conditions_2: ionic strength: 100 M; pH: 6.5; pressure: 1 atm; temperature: 293 K

sample_conditions_3: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
2D 1H-13C HSQC (aliph)sample_2isotropicsample_conditions_2
3D CBCA(CO)NHsample_2isotropicsample_conditions_2
3D HNCACBsample_2isotropicsample_conditions_2
3D HBHA(CO)NHsample_2isotropicsample_conditions_2
3D HNHAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_2
3D 1H-15N NOESYsample_2isotropicsample_conditions_2
3D 1H-13C NOESY (aliph)sample_2isotropicsample_conditions_2
2D 1H-15N HSQCsample_3isotropicsample_conditions_3
2D 1H-13C HSQC (arom)sample_2isotropicsample_conditions_2
3D 1H-13C NOESY (arom)sample_2isotropicsample_conditions_2

Software:

PSVS v1.3, Bhattacharya , Hang and Montelione - Structure Validation

PDBStat v4.1, Roberto Tejero and Montelione - data analysis

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

X-PLOR NIH v2.11.2, Schwieters, Kuszewski, Tjandra and Clore - refinement

AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - refinement, structure solution

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

SPARKY v3.110, Goddard - data analysis

VNMR v6.1c, Varian - collection

AutoAssign v2.2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 500 MHz

Related Database Links:

PDB
GB AAV97060
REF WP_011049517