BMRB Entry 5860

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5860
MolProbity Validation Chart

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Title:
Structure of Subtilosin A, an Antimicrobial Peptide from Bacillus subtilis with Unusual Post-translational Modifications Linking Cysteine Sulfurs to alpha-Carbons of Phenylalanine and Threonine
Deposition date:
2003-07-04
Original release date:
2003-12-19
Authors:
Kawulka, Karen; Sprules, Tara; McKay, Ryan; Mercier, Pascal; Diaper, Christopher; Zuber, Peter; Vederas, John
Citation:

Citation: Kawulka, Karen; Sprules, Tara; McKay, Ryan; Mercier, Pascal; Diaper, Christopher; Zuber, Peter; Vederas, John. "Structure of Subtilosin A, an Antimicrobial Peptide from Bacillus subtilis with Unusual Posttranslational Modifications Linking Cysteine Sulfurs to alpha-Carbons of Phenylalanine and Threonine"  J. Am. Chem. Soc. 125, 4726-4727 (2003).
PubMed: 12696888

Assembly members:

Assembly members:
Subtilosin A, polymer, 35 residues, 3401 Da.

Natural source:

Natural source:   Common Name: Bacillus subtilis   Taxonomy ID: 1423   Superkingdom: Eubacteria   Kingdom: not available   Genus/species: Bacillus subtilis

Experimental source:

Experimental source:   Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Subtilosin A: NKGCATCSIGAACLVDGPIP DFEIAGATGLFGLWG

Data sets:
Data typeCount
1H chemical shifts207
13C chemical shifts93
15N chemical shifts35

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Subtilosin A1

Entities:

Entity 1, Subtilosin A 35 residues - 3401 Da.

1   ASNLYSGLYCYSALATHRCYSSERILEGLY
2   ALAALACYSLEUVALASPGLYPROILEPRO
3   ASPPHEGLUILEALAGLYALATHRGLYLEU
4   PHEGLYLEUTRPGLY

Samples:

sample_1: Subtilosin A, [U-100% 13C; U-80% 15N], 1.0 mM

cond_1: pH: 4.5; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
1H-13C HSQCsample_1not availablecond_1
1H-15N-HSQCsample_1not availablecond_1
HNHAsample_1not availablecond_1
CBCA(CO)NNHsample_1not availablecond_1
HCCH-TOCSYsample_1not availablecond_1
HNCOsample_1not availablecond_1
HNCAsample_1not availablecond_1
HNCACBsample_1not availablecond_1
13C-NOESYHSQCsample_1not availablecond_1
15N-NOESYHSQCsample_1not availablecond_1
15N-TOCSYHSQCsample_1not availablecond_1
13C,15N-NOESYsample_1not availablecond_1

Software:

NMRPipe v2.2 - data processing

NMRVIEW v5.0 - data analysis

NMR spectrometers:

  • Varian INOVA 500 MHz
  • Varian INOVA 800 MHz

Related Database Links:

DBJ BAI87397 BAM55818 BAM59830 GAK81054
EMBL CAB09701 CAB15763 CAD23198 CCU60834 CEI59543
GB ABD92636 ABD92637 ABD92638 ABW83032 ACO72595
REF NP_391616 WP_003222002 YP_003868035 YP_003975177 YP_004205572
SP O07623
AlphaFold O07623

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