BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 16624

Title: Solution Structure of an Acyl Carrier Protein Domain from Fungal Type I Polyketide Synthase   PubMed: 20136099

Deposition date: 2009-12-03 Original release date: 2010-02-09

Authors: Wattana-amorn, Pakorn; Williams, Christopher; Ploskon, Eliza; Cox, Russell; Simpson, Thomas; Crosby, John; Crump, Matthew

Citation: Wattana-amorn, Pakorn; Williams, Christopher; Posko, Eliza; Cox, Russell; Simpson, Thomas; Crosby, John; Crump, Matthew. "Solution structure of an acyl carrier protein domain from a fungal type I polyketide synthase."  Biochemistry 49, 2186-2193 (2010).

Assembly members:
ACP, polymer, 89 residues, 9429.646 Da.

Natural source:   Common Name: Aspergillus parasiticus   Taxonomy ID: 5067   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Aspergillus parasiticus

Experimental source:   Production method: recombinant technology   Host organism: Aspergillus parasiticus

Entity Sequences (FASTA):
ACP: AMAKGVGVSNEKLDAVMRVV SEESGIALEELTDDSNFADM GIDXLSSMVIGSRFREDLGL DLGPEFSLFIDCTTVRALKD FMLGSGDAG

Data sets:
Data typeCount
13C chemical shifts365
15N chemical shifts93
1H chemical shifts601

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1ACP1

Entities:

Entity 1, ACP 89 residues - 9429.646 Da.

1   ALAMETALALYSGLYVALGLYVALSERASN
2   GLULYSLEUASPALAVALMETARGVALVAL
3   SERGLUGLUSERGLYILEALALEUGLUGLU
4   LEUTHRASPASPSERASNPHEALAASPMET
5   GLYILEASPPNSLEUSERSERMETVALILE
6   GLYSERARGPHEARGGLUASPLEUGLYLEU
7   ASPLEUGLYPROGLUPHESERLEUPHEILE
8   ASPCYSTHRTHRVALARGALALEULYSASP
9   PHEMETLEUGLYSERGLYASPALAGLY

Samples:

sample_1: ACP, [U-95% 13C; U-95% 15N], 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

ARIA v1.2, Linge, O, . - structure solution

ANALYSIS v1.0, CCPN - chemical shift assignment

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

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAC45240 BAE59509 BAE71314
GB AAC41674 AAC41675 AAR32704 AAS66004 AAS90022
PRF 2123354A
REF XP_001821511 XP_002379951
SP Q12053

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