BMRB Entry 36221

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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/BMR36221
MolProbity Validation Chart

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Title:
Solution structure of the Sigma-anti-sigma factor complex RsgI1N-SigI1C from Clostridium thermocellum
Deposition date:
2018-12-04
Original release date:
2020-09-19
Authors:
Wei, Z.; Feng, Y.
Citation:

Citation: Wei, Z.; Chen, C.; Liu, Y.; Dong, S.; Li, J.; Qi, K.; Liu, S.; Ding, X.; Ora, L.; Munoz-Gutierrez, I.; Li, Y.; Yao, H.; Lamed, R.; Bayer, E.; Cui, Q.; Feng, Y.. "Alternative sigma I/anti-sigma I factors represent a unique form of bacterial sigma/anti-sigma complex"  Nucleic Acids Res. 47, 5988-5997 (2019).
PubMed: 31106374

Assembly members:

Assembly members:
entity_1, polymer, 53 residues, 6170.172 Da.
entity_2, polymer, 118 residues, 14226.666 Da.

Natural source:

Natural source:   Common Name: Ruminiclostridium thermocellum   Taxonomy ID: 203119   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Hungateiclostridium Hungateiclostridium thermocellum

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SMNRLGIIYEIQGMKAVVLT SEGEFLIIRRRKDMKVGQQV SFENEDIYNVRGK
entity_2: MEDIEAREDIEELKKKLQEF GITFLDLVLNVPKHRDSRQL CIRLAKMLAEDEQMYNALMK NKNIPRNELKKKAKVHGRTI GNNRKYIIALCLIFRSNLNL SKRYLEYYTMLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts781
15N chemical shifts184
1H chemical shifts1280

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 53 residues - 6170.172 Da.

1   SERMETASNARGLEUGLYILEILETYRGLU
2   ILEGLNGLYMETLYSALAVALVALLEUTHR
3   SERGLUGLYGLUPHELEUILEILEARGARG
4   ARGLYSASPMETLYSVALGLYGLNGLNVAL
5   SERPHEGLUASNGLUASPILETYRASNVAL
6   ARGGLYLYS

Entity 2, entity_2 118 residues - 14226.666 Da.

1   METGLUASPILEGLUALAARGGLUASPILE
2   GLUGLULEULYSLYSLYSLEUGLNGLUPHE
3   GLYILETHRPHELEUASPLEUVALLEUASN
4   VALPROLYSHISARGASPSERARGGLNLEU
5   CYSILEARGLEUALALYSMETLEUALAGLU
6   ASPGLUGLNMETTYRASNALALEUMETLYS
7   ASNLYSASNILEPROARGASNGLULEULYS
8   LYSLYSALALYSVALHISGLYARGTHRILE
9   GLYASNASNARGLYSTYRILEILEALALEU
10   CYSLEUILEPHEARGSERASNLEUASNLEU
11   SERLYSARGTYRLEUGLUTYRTYRTHRMET
12   LEUGLUHISHISHISHISHISHIS

Samples:

sample_1: RsgI1N, [U-13C; U-15N], 1 mM; SigI1C, [U-13C; U-15N], 1 mM; Bis-Tris 20 mM; EDTA 2 mM; sodium chloride 50 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HBHANHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-COSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AvanceIII 600 MHz
  • Bruker AvanceIII 850 MHz

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