BMRB Entry 36651

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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/BMR36651
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
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Title:
Structural insights into Cutibacterium acnes acyl carrier protein
Deposition date:
2024-02-26
Original release date:
2026-02-06
Authors:
Oh, S.; Jang, A.; Cheon, D.; Kim, Y.
Citation:

Citation: Son, Minwon; Oh, Sujung; Oh, Yoojin; Cheon, Dasom; Jang, Ahjin; Kim, Eunhee; Kim, Nak-Kyoon; Kim, Yangmee. "Structural and dynamic insights into acyl carrier protein in Cutibacterium acnes reveal mechanisms for fatty acid synthesis and transport."  Biochem. Biophys. Res. Commun. 741, 151090-151090 (2024).
PubMed: 39616941

Assembly members:

Assembly members:
Acyl carrier protein, polymer, 81 residues, 9033.968 Da.

Natural source:

Natural source:   Common Name: Cutibacterium acnes SK137   Taxonomy ID: 553199   Superkingdom: not available   Kingdom: Bacillati   Genus/species: Cutibacterium acnes

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Acyl carrier protein: MADKDQILADMADIVNDITG VDQSEVTFEKSFVDDLDVDS LSMVEIIYACDEKFGVEIPD EESKNIKIVGDAVNYIIEHQ S

Data sets:
Data typeCount
13C chemical shifts321
15N chemical shifts78
1H chemical shifts535

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 81 residues - 9033.968 Da.

1   METALAASPLYSASPGLNILELEUALAASP
2   METALAASPILEVALASNASPILETHRGLY
3   VALASPGLNSERGLUVALTHRPHEGLULYS
4   SERPHEVALASPASPLEUASPVALASPSER
5   LEUSERMETVALGLUILEILETYRALACYS
6   ASPGLULYSPHEGLYVALGLUILEPROASP
7   GLUGLUSERLYSASNILELYSILEVALGLY
8   ASPALAVALASNTYRILEILEGLUHISGLN
9   SER

Samples:

sample_1: Acyl carrier protein 0.5 mM; sodium azide 0.02%; DTT 5 mM; calcium chloride 5 mM; MES 25 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: Acyl carrier protein 0.5 mM; sodium azide 0.02%; DTT 5 mM; calcium chloride 5 mM; MES 25 mM; H2O 90%; D2O, [U-2H], 10%

sample_3: Acyl carrier protein 0.5 mM; sodium azide 0.02%; DTT 5 mM; calcium chloride 5 mM; MES 25 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 5 mM; pH: 6.1; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

PONDEROSA-C/S, Lee, Stark and Markley - refinement

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

PONDEROSA-C/S, Lee, Stark and Markley - chemical shift calculation

NMRFAM-SPARKY, Lee, Tonelli and Markley - chemical shift assignment

NMRFAM-SPARKY, Lee, Tonelli and Markley - peak picking

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

TopSpin, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AVANCE II 900 MHz
  • Bruker AVANCE III HD 700 MHz

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