BMRB Entry 34495

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34495
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Title:
Rhodospirillum rubrum reduced CooT solution structure
Deposition date:
2020-03-05
Original release date:
2020-03-12
Authors:
Chagot, B.
Citation:

Citation: Chagot, B.. "Rhodospirillum rubrum reduced CooT solution structure"  .

Assembly members:

Assembly members:
entity_1, polymer, 70 residues, 7403.457 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPGSMCMAKVVLTKADGGRV EIGDVLEVRAEGGAVRVTTL FDEEHAFPGLAIGRVDLRSG VISLIEEQNR

Data sets:
Data typeCount
13C chemical shifts289
15N chemical shifts78
1H chemical shifts487

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_1, 11
2entity_1, 21

Entities:

Entity 1, entity_1, 1 70 residues - 7403.457 Da.

1   GLYPROGLYSERMETCYSMETALALYSVAL
2   VALLEUTHRLYSALAASPGLYGLYARGVAL
3   GLUILEGLYASPVALLEUGLUVALARGALA
4   GLUGLYGLYALAVALARGVALTHRTHRLEU
5   PHEASPGLUGLUHISALAPHEPROGLYLEU
6   ALAILEGLYARGVALASPLEUARGSERGLY
7   VALILESERLEUILEGLUGLUGLNASNARG

Samples:

sample_1: CooT, [U-13C; U-15N], 1 ± 0.1 mM; NaP buffer 100 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1

Software:

Sparky, Goddard - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

TopSpin, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks