BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 25716

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25716
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Title: PltL-holo   PubMed: 26340431

Deposition date: 2015-07-17 Original release date: 2015-09-16

Authors: Jaremko, Matt; Lee, D.; Burkart, Michael

Citation: Jaremko, Matt; Lee, D.; Beld, Joris; Opella, Stanley; Burkart, Michael. "Structure and Substrate Sequestration in the Pyoluteorin Type II Peptidyl Carrier Protein PltL"  J. Am. Chem. Soc. 137, 11546-11549 (2015).

Assembly members:
entity_1, polymer, 90 residues, 10653.210 Da.
4'-PHOSPHOPANTETHEINE, non-polymer, 358.348 Da.

Natural source:   Common Name: g-proteobacteria   Taxonomy ID: 220664   Superkingdom: Bacteria   Kingdom: not available   Genus/species: not available not available

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

Entity Sequences (FASTA):
entity_1: MDGEEVKEKIRRYIMEDLIG PSAKEDELDDQTPLLEWGIL NSMNIVKLMVYIRDEMGVSI PSTHITGKYFKDLNAISRTV EQLKAESALE

Data sets:
Data typeCount
13C chemical shifts402
15N chemical shifts92
1H chemical shifts683

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11
24'-PHOSPHOPANTETHEINE2

Entities:

Entity 1, entity_1 90 residues - 10653.210 Da.

1   METASPGLYGLUGLUVALLYSGLULYSILE
2   ARGARGTYRILEMETGLUASPLEUILEGLY
3   PROSERALALYSGLUASPGLULEUASPASP
4   GLNTHRPROLEULEUGLUTRPGLYILELEU
5   ASNSERMETASNILEVALLYSLEUMETVAL
6   TYRILEARGASPGLUMETGLYVALSERILE
7   PROSERTHRHISILETHRGLYLYSTYRPHE
8   LYSASPLEUASNALAILESERARGTHRVAL
9   GLUGLNLEULYSALAGLUSERALALEUGLU

Entity 2, 4'-PHOSPHOPANTETHEINE - C11 H23 N2 O7 P S - 358.348 Da.

1   PNS

Samples:

sample_1: potassium phosphate 50 mM; TCEP 5 mM; sodium azide 0.1%; H2O 90%; D2O 10%

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 298.15 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C 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 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

NMR spectrometers:

  • Varian VS 500 500 MHz
  • Bruker Avance 600 600 MHz
  • Varian VS 800 800 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts