BMRB Entry 15658

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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/BMR15658
MolProbity Validation Chart

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Title:
The actinorhodin holo acyl carrier protein from S. coelicolor
Deposition date:
2008-02-15
Original release date:
2008-09-11
Authors:
Crump, Matthew; Evans, Simon; Williams, Christopher
Citation:

Citation: Evans, Simon; Williams, Christopher; Arthur, Christopher; Burston, Steven; Simpson, Thomas; Crosby, John; Crump, Matthew. "An ACP Structural Switch: Conformational Differences between the Apo and Holo Forms of the Actinorhodin Polyketide Synthase Acyl Carrier Protein"  ChemBioChem 9, 2424-2432 (2008).
PubMed: 18770515

Assembly members:

Assembly members:
act_holo-acp, polymer, 86 residues, 9439.0 Da.
4'-PHOSPHOPANTETHEINE, non-polymer, 358.348 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 1902   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptomyces coelicolor

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET11c

Entity Sequences (FASTA):

Entity Sequences (FASTA):
act_holo-acp: MATLLTTDDLRRALVESAGE TDGTDLSGDFLDLRFEDIGY DSLALMETAARLESRYGVSI PDDVAGRVDTPRELLDLING ALAEAA

Data sets:
Data typeCount
1H chemical shifts595
13C chemical shifts362
15N chemical shifts92

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity1
2PNS2

Entities:

Entity 1, entity 86 residues - 9439.0 Da.

1   METALATHRLEULEUTHRTHRASPASPLEU
2   ARGARGALALEUVALGLUSERALAGLYGLU
3   THRASPGLYTHRASPLEUSERGLYASPPHE
4   LEUASPLEUARGPHEGLUASPILEGLYTYR
5   ASPSERLEUALALEUMETGLUTHRALAALA
6   ARGLEUGLUSERARGTYRGLYVALSERILE
7   PROASPASPVALALAGLYARGVALASPTHR
8   PROARGGLULEULEUASPLEUILEASNGLY
9   ALALEUALAGLUALAALA

Entity 2, PNS - C11 H23 N2 O7 P S - 358.348 Da.

1   PNS

Samples:

act_holo-acp_sample: act holo-acp, [U-98% 13C; U-98% 15N], 1-2 ± 0.1 mM; Phosphopantetheine side chain 1-2 ± 0.1 mM; H2O 95%; D2O 5%; potassium phosphate 20 ± 2 mM; TCEP 5 ± 0.2 mM; sodium azide 1 ± 0.1 mM

act_holo-acp_conditions: temperature: 298 K; pH: 5.5; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCact_holo-acp_sampleisotropicact_holo-acp_conditions
3D 1H-13C NOESYact_holo-acp_sampleisotropicact_holo-acp_conditions
3D 1H-15N NOESYact_holo-acp_sampleisotropicact_holo-acp_conditions
3D CBCA(CO)NHact_holo-acp_sampleisotropicact_holo-acp_conditions
3D HNCACBact_holo-acp_sampleisotropicact_holo-acp_conditions
3D HCCH-TOCSYact_holo-acp_sampleisotropicact_holo-acp_conditions
3D HNCOact_holo-acp_sampleisotropicact_holo-acp_conditions
F1,F2 double filtered NOESYact_holo-acp_sampleisotropicact_holo-acp_conditions
F1,F2 double filtered TOCSYact_holo-acp_sampleisotropicact_holo-acp_conditions
F2-filtered NOESYact_holo-acp_sampleisotropicact_holo-acp_conditions

Software:

ARIA v1.2, Linge, O'Donoghue and Nilges, CCPN, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - structure solution, chemical shift assignment, processing

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 15659 16196 16197 16199 16200 16201 16202 16203 25284 25287
PDB
EMBL CAA45045 CAC44202
GB AIJ13577 EFD66960 EOY50075 KKD13304
REF NP_629239 WP_003973889
SP Q02054
AlphaFold Q02054

Download HSQC peak lists in one of the following formats:
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