BMRB Entry 17906

Title:
NMR structure of holo-ACPI domain from CurA module from Lyngbya majuscula
Deposition date:
2011-09-01
Original release date:
2011-12-14
Authors:
Busche, Alena; Gottstein, Daniel; Hein, Christopher; Ripin, Nina; Pader, Irina; Gu, Liangcai; Walsh, Christopher; Sherman, David; Loehr, Frank; Guentert, Peter; Doetsch, Volker
Citation:

Citation: Busche, Alena; Gottstein, Daniel; Hein, Christopher; Ripin, Nina; Pader, Irina; Tufar, Peter; Eisman, Eli; Gu, Liangcai; Walsh, Christopher; Sherman, David; Lohr, Frank; Guntert, Peter; Dotsch, Volker. "Characterization of molecular interactions between ACP and halogenase domains in the Curacin A polyketide synthase."  ACS Chem. Biol. 7, 378-386 (2012).
PubMed: 22103656

Assembly members:

Assembly members:
entity, polymer, 99 residues, 11009.415 Da.

Natural source:

Natural source:   Common Name: Lyngbya majuscula   Taxonomy ID: 158786   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Lyngbya majuscula

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pet28a

Data sets:
Data typeCount
13C chemical shifts418
15N chemical shifts108
1H chemical shifts688

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1CurA1

Entities:

Entity 1, CurA 99 residues - 11009.415 Da.

1   SERGLYLEUVALPROARGGLYSERHISMET
2   THRPROGLNVALASNGLNVALASNLEUSER
3   GLUILELYSGLNVALLEULYSGLNGLNLEU
4   ALAGLUALALEUTYRTHRGLUGLUSERGLU
5   ILEALAGLUASPGLNLYSPHEVALASPLEU
6   GLYLEUASPSERILEVALGLYVALGLUTRP
7   THRTHRTHRILEASNGLNTHRTYRASNLEU
8   ASNLEULYSALATHRLYSLEUTYRASPTYR
9   PROTHRLEULEUGLULEUSERGLYTYRILE
10   ALAGLNILELEUSERSERGLNGLYTHR

Samples:

Holo_ACPI_15N: CurA, [U-15N], 1 mM; D2O 5%; DSS 0.15 mM; Arginine 50 mM; Glutamate 50 mM; H2O 95%; D2O 5%

Holo_ACPI_13C: CurA, [U-13C], 1 mM; D2O 5%; DSS 0.15 mM; Arginine 50 mM; Glutamate 50 mM; H2O 95%; D2O 5%

Holo_ACPI_15N_13C: CurA, [U-15N],[U-13C], 1 mM; D2O 5%; DSS 0.15 mM; Arginine 50 mM; Glutamate 50 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.8; pressure: 1 atm; temperature: 291 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCHolo_ACPI_15Nisotropicsample_conditions_1
3D HNCACBHolo_ACPI_15N_13Cisotropicsample_conditions_1
3D HNCOHolo_ACPI_15N_13Cisotropicsample_conditions_1
3D HNCACOHolo_ACPI_15N_13Cisotropicsample_conditions_1
3D H(CCCO)NH-TOCSYHolo_ACPI_15N_13Cisotropicsample_conditions_1
3D (H)C(CCO)NH-TOCSYHolo_ACPI_15N_13Cisotropicsample_conditions_1
3D 1H-13C NOESYHolo_ACPI_15Nisotropicsample_conditions_1
3D 1H-15N NOESYHolo_ACPI_13Cisotropicsample_conditions_1
(H)CB(CGCC-TOCSY)HarHolo_ACPI_15N_13Cisotropicsample_conditions_1

Software:

CYANA v2.1 and 3.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 900 MHz

Related Database Links:

BMRB 17907
PDB

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