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 15652

Title: Solution NMR structure of the uncharacterized protein from Rhodospirillum rubrum gene locus Rru_A0810. Northeast Structural Genomics Target RrR43.

Authors: Rossi, Paolo; Wang, Huang; Jiang, Mei; Foote, Erica; Xiao, Rong; Liu, Jinfeng; Swapna, G.V.T.; Acton, Thomas; Baran, Michael; Rost, Burkhard; Montelione, Gaetano

Citation: Rossi, Paolo; Xiao, Rong; Acton, Thomas; Montelione, Gaetano. "Solution NMR structure of the uncharacterized protein from Rhodospirillum rubrum gene locus Rru_A0810. Northeast Structural Genomics Target RrR43."  . ., .-..

Assembly members:
RrR43, polymer, 104 residues, 11870.668 Da.

Natural source:   Common Name: Rhodospirillum rubrum   Taxonomy ID: 1085   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Rhodospirillum rubrum

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

Entity Sequences (FASTA):
RrR43: MAKAQPIEIAGHEFARKADA LAFMKVMLNRYRPGDIVSTV DGAFLVEALKRHPDATSKIG PGVRNFEVRSADYGTQCFWI LRTDGSEERFSYKKCVLEHH HHHH

Data sets:
Data typeCount
13C chemical shifts435
15N chemical shifts90
1H chemical shifts677

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1RrR431

Entities:

Entity 1, RrR43 104 residues - 11870.668 Da.

97-104 C-term LEHHHHHH Ni affinity tag.

1   METALALYSALAGLNPROILEGLUILEALA
2   GLYHISGLUPHEALAARGLYSALAASPALA
3   LEUALAPHEMETLYSVALMETLEUASNARG
4   TYRARGPROGLYASPILEVALSERTHRVAL
5   ASPGLYALAPHELEUVALGLUALALEULYS
6   ARGHISPROASPALATHRSERLYSILEGLY
7   PROGLYVALARGASNPHEGLUVALARGSER
8   ALAASPTYRGLYTHRGLNCYSPHETRPILE
9   LEUARGTHRASPGLYSERGLUGLUARGPHE
10   SERTYRLYSLYSCYSVALLEUGLUHISHIS
11   HISHISHISHIS

Samples:

sample_1: RrR43, [U-5% 13C; U-100% 15N], 1.15 mM; MES 20 mM; DTT 10 mM; sodium azide 0.02%; sodium chloride 100 mM; DSS 50 uM; calcium chloride 5 mM

sample_2: RrR43, [U-100% 13C; U-100% 15N], 1.05 mM; MES 20 mM; DTT 10 mM; sodium azide 0.02%; sodium chloride 100 mM; DSS 50 uM; calcium chloride 5 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 298 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 HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY (aliph)sample_1isotropicsample_conditions_1
2D 1H-13C HSQC (stereomethyl)sample_2isotropicsample_conditions_1
2D 1H-13C HSQC (arom)sample_1isotropicsample_conditions_1
3D 1H-13C NOESY (arom)sample_1isotropicsample_conditions_1

Software:

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

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

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - geometry optimization

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

PSVS, Bhattacharya and Montelione - validation

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

TOPSPIN v1.3, Bruker Biospin - collection

SPARKY v3.112, Goddard - data analysis

Molmol v2k2, Koradi, Billeter and Wuthrich - visualization

ProcheckNMR, Laskowski and MacArthur - refinement

MolProbity, Richardson - validation

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
GB ABC21614 AEO47305
REF WP_011388568 YP_425901