BMRB Entry 31070

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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/BMR31070
MolProbity Validation Chart

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Title:
FlgN-FliJ fusion complex
Deposition date:
2023-01-13
Original release date:
2023-06-27
Authors:
Rossi, P.; Kalodimos, C.
Citation:

Citation: Rossi, P.; Xing, Q.; Bini, E.; Portaliou, A.; Clay, M.; Warren, E.; Khanra, N.; Economou, A.; Kalodimos, C.. "Chaperone Recycling in Late-Stage Flagellar Assembly"  J. Mol. Biol. ., 167954-167954 (2023).
PubMed: 37330284

Assembly members:

Assembly members:
entity_1, polymer, 214 residues, 24116.904 Da.

Natural source:

Natural source:   Common Name: Salmonella enterica subsp. enterica serovar Typhimurium   Taxonomy ID: 90371   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Salmonella enterica

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MTRLSEILDQMTTVLNDLKT VMDAEQQQLSVGQINGSQLQ RITEEKSSLLATLDYLEQQR RLEQNAQRSANDDIAERWQA ITEKTQHLRDLNQHNGWLLE GQIERNQQALEVLKPHQEPT LYGADGQTSVSHRGGKKISI VLFQGPSAGLVPRGSGGIEG MAQHGALETLKDLAEKEVDD AARLLGEMRRGCQQAEEQLK MLIDYQNEYRSNLN

Data sets:
Data typeCount
13C chemical shifts625
15N chemical shifts170
1H chemical shifts463

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 214 residues - 24116.904 Da.

1   METTHRARGLEUSERGLUILELEUASPGLN
2   METTHRTHRVALLEUASNASPLEULYSTHR
3   VALMETASPALAGLUGLNGLNGLNLEUSER
4   VALGLYGLNILEASNGLYSERGLNLEUGLN
5   ARGILETHRGLUGLULYSSERSERLEULEU
6   ALATHRLEUASPTYRLEUGLUGLNGLNARG
7   ARGLEUGLUGLNASNALAGLNARGSERALA
8   ASNASPASPILEALAGLUARGTRPGLNALA
9   ILETHRGLULYSTHRGLNHISLEUARGASP
10   LEUASNGLNHISASNGLYTRPLEULEUGLU
11   GLYGLNILEGLUARGASNGLNGLNALALEU
12   GLUVALLEULYSPROHISGLNGLUPROTHR
13   LEUTYRGLYALAASPGLYGLNTHRSERVAL
14   SERHISARGGLYGLYLYSLYSILESERILE
15   VALLEUPHEGLNGLYPROSERALAGLYLEU
16   VALPROARGGLYSERGLYGLYILEGLUGLY
17   METALAGLNHISGLYALALEUGLUTHRLEU
18   LYSASPLEUALAGLULYSGLUVALASPASP
19   ALAALAARGLEULEUGLYGLUMETARGARG
20   GLYCYSGLNGLNALAGLUGLUGLNLEULYS
21   METLEUILEASPTYRGLNASNGLUTYRARG
22   SERASNLEUASN

Samples:

sample_1: FlgN_1-113_FliJ_1-54_fusion, [U-13C; U-15N; U-2H], 300 uM; potassium phosphate 20 mM; potassium chloride 100 mM; sodium azide 0.05%; beta-mercaptoethanol 5 mM

sample_2: FlgN_1-113_FliJ_1-54_fusion, [15N_1H,13C_ILVMAT_CH3_U1H,13C_Tyr_Phe], 300 uM; potassium phosphate 20 mM; potassium chloride 100 mM; sodium azide 0.05%; beta-mercaptoethanol 5 mM

sample_conditions_1: ionic strength: 120 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D CCH_noesysample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(COCA)CBsample_1isotropicsample_conditions_1

Software:

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

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

PINE, Bahrami, Markley, Assadi, and Eghbalnia - chemical shift assignment

Sparky, Goddard - peak picking

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

TopSpin, Bruker Biospin - collection

PdbStat, tejero and montelione - processing

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

NMR spectrometers:

  • Bruker AVANCE 700 MHz
  • Bruker AVANCE 850 MHz

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