BMRB Entry 34299

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34299
MolProbity Validation Chart

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Title:
A1-type ACP domain from module 5 of MLSA1
Deposition date:
2018-07-09
Original release date:
2019-03-14
Authors:
Moretto, Luisa; Heylen, Rachel; Holroyd, Natalie; Vance, Steven; Broadhurst, Richard
Citation:

Citation: Moretto, Luisa; Heylen, Rachel; Holroyd, Natalie; Vance, Steven; Broadhurst, Richard. "Modular type I polyketide synthase acyl carrier protein domains share a common N-terminally extended fold."  Sci. Rep. 9, 2325-2325 (2019).
PubMed: 30787330

Assembly members:

Assembly members:
Type I modular polyketide synthase, polymer, 100 residues, 10607.839 Da.

Natural source:

Natural source:   Common Name: Mycobacterium ulcerans Agy99   Taxonomy ID: 362242   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium Mycobacterium ulcerans

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Type I modular polyketide synthase: GSTATLLTSKLAGLTATEQR AVTRKLVLDQAASVLGYAST ESLDTHESFKDLGFDSLTAL ELRDHLQTATGLNLSSTLIF DHPTPHAVAEHLLEQIPGIG

Data sets:
Data typeCount
13C chemical shifts424
15N chemical shifts101
1H chemical shifts657

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 100 residues - 10607.839 Da.

1   GLYSERTHRALATHRLEULEUTHRSERLYS
2   LEUALAGLYLEUTHRALATHRGLUGLNARG
3   ALAVALTHRARGLYSLEUVALLEUASPGLN
4   ALAALASERVALLEUGLYTYRALASERTHR
5   GLUSERLEUASPTHRHISGLUSERPHELYS
6   ASPLEUGLYPHEASPSERLEUTHRALALEU
7   GLULEUARGASPHISLEUGLNTHRALATHR
8   GLYLEUASNLEUSERSERTHRLEUILEPHE
9   ASPHISPROTHRPROHISALAVALALAGLU
10   HISLEULEUGLUGLNILEPROGLYILEGLY

Samples:

sample_1: mH0ACPa, [U-13C; U-15N], 0.8 ± 0.05 mM; sodium chloride 150 ± 10 mM; sodium phosphate 45 ± 10 mM

sample_2: mH0ACPa, [U-15N], 0.8 ± 0.05 mM; sodium chloride 150 ± 10 mM; sodium phosphate 45 ± 10 mM

sample_conditions_1: ionic strength: 150 mM; pH: 7.5 pD; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 150 mM; pH: 7.5 pD; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_2
3D HN(CO)CAsample_1isotropicsample_conditions_2
3D CBCA(CO)NHsample_1isotropicsample_conditions_2
3D HNCACBsample_1isotropicsample_conditions_2
3D 1H-13C NOESYsample_1isotropicsample_conditions_2

Software:

TOPSPIN, Bruker Biospin - collection

AZARA, Boucher - processing

Analysis, CCPN - chemical shift assignment

ARIA, Linge, O'Donoghue and Nilges - structure calculation

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

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