BMRB Entry 30450

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30450
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
CS-rosetta determined structures of the N-terminal domain of AlgF from P. aeruginosa
Deposition date:
2018-04-09
Original release date:
2019-04-09
Authors:
Tammam, S.; Howell, P.
Citation:

Citation: Low, K.; Tammam, S.; Whitfield, G.; Riley, L.; Weadge, J.; Caldwell, S.; Baker, P.; Chong, P.; Walvoort, M.; Kitova, E.; Grant, T.; Snell, E.; Klassen, J.; Codee, J.; Howell, P.. "Pseudomonas aeruginosa AlgF is an adaptor protein required for acetylation of the alginate exopolysaccharide"  .

Assembly members:

Assembly members:
P. aeruginosa AlgF, polymer, 196 residues, 20917.729 Da.

Natural source:

Natural source:   Common Name: Pseudomonas aeruginosa   Taxonomy ID: 208964   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas aeruginosa

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET24b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
P. aeruginosa AlgF: MEGALYGPQAPKGSAFVRAY NAGNSELDVSVGSTSLNDVA PLGSSDFKFLPPGSYTAQVG QQSLPVKLDPDSYYTLVSQP GGKPQLVAEPPFKNKQKALV RVQNLSGSKLTLKTADGKTD VVKDVGPQSHGDREINPVKV NLALFDGSKKVSDLKPVTLA RGEVVCLYVTGSGGKLAPVW VKRPVKADLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts815
15N chemical shifts190
1H chemical shifts1317

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1P. aeruginosa AlgF1

Entities:

Entity 1, P. aeruginosa AlgF 196 residues - 20917.729 Da.

1   METGLUGLYALALEUTYRGLYPROGLNALA
2   PROLYSGLYSERALAPHEVALARGALATYR
3   ASNALAGLYASNSERGLULEUASPVALSER
4   VALGLYSERTHRSERLEUASNASPVALALA
5   PROLEUGLYSERSERASPPHELYSPHELEU
6   PROPROGLYSERTYRTHRALAGLNVALGLY
7   GLNGLNSERLEUPROVALLYSLEUASPPRO
8   ASPSERTYRTYRTHRLEUVALSERGLNPRO
9   GLYGLYLYSPROGLNLEUVALALAGLUPRO
10   PROPHELYSASNLYSGLNLYSALALEUVAL
11   ARGVALGLNASNLEUSERGLYSERLYSLEU
12   THRLEULYSTHRALAASPGLYLYSTHRASP
13   VALVALLYSASPVALGLYPROGLNSERHIS
14   GLYASPARGGLUILEASNPROVALLYSVAL
15   ASNLEUALALEUPHEASPGLYSERLYSLYS
16   VALSERASPLEULYSPROVALTHRLEUALA
17   ARGGLYGLUVALVALCYSLEUTYRVALTHR
18   GLYSERGLYGLYLYSLEUALAPROVALTRP
19   VALLYSARGPROVALLYSALAASPLEUGLU
20   HISHISHISHISHISHIS

Samples:

sample_1: P. aeruginosa AlgF, [U-1H; U-13C; U-15N], 1 mM; potassium phosphate 50 mM; glycerol 2 % v/v; DTT 10 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CS-Rosetta, Shen, Vernon, Baker and Bax - refinement, structure calculation

NMRView, Johnson, One Moon Scientific - chemical shift assignment

CcpNMR, CCPN - chemical shift assignment

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

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 800 MHz

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