BMRB Entry 34744

Title:
NMR structure of holo-acp
Deposition date:
2022-08-01
Original release date:
2023-03-14
Authors:
Collin, S.; Weissman, K.; Chagot, B.; Gruez, A.
Citation:

Citation: Collin, S.; Weissman, K.; Chagot, B.; Gruez, A.. "NMR structure of holo-acp"  .

Assembly members:

Assembly members:
entity_1, polymer, 83 residues, 8938.062 Da.
entity_PNS, non-polymer, 358.348 Da.

Natural source:

Natural source:   Common Name: Streptomyces virginiae   Taxonomy ID: 1961   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptomyces virginiae

Experimental source:

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

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts348
15N chemical shifts90
1H chemical shifts598

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11
2unit_22

Entities:

Entity 1, unit_1 83 residues - 8938.062 Da.

1   GLYPROGLYSERMETTYRGLYGLUALAVAL
2   THRGLUGLNLEUSERARGLEUVALALAGLY
3   PHEVALPROASPALAALAGLYSERVALASP
4   PROASPARGTHRLEULEUGLUHISGLYILE
5   ASPSERILEASNLEUMETASNLEUARGPHE
6   GLUILETHRGLUARGPHEGLYARGTHRLEU
7   PROLEUGLNLEULEUSERGLUSERTHRVAL
8   PROVALLEUALAALAHISLEUSERALAASP
9   ARGALAHIS

Entity 2, unit_2 - C11 H23 N2 O7 P S - 358.348 Da.

1   PNS

Samples:

sample_1: Hybrid polyketide synthase-non ribosomal peptide synthetase ACP7, [U-100% 13C; U-100% 15N], 1.6 mM; sodium phosphate 100 mM; TCEP 1 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H(C12 N14)-1H(C12 N14) NOESYsample_1isotropicsample_conditions_1
2D 1H-1H(C12 N14) NOESYsample_1isotropicsample_conditions_1
2D 1H(C12 N14) -1H(C12 N14) TOCSYsample_1isotropicsample_conditions_1

Software:

Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

NMRFAM-SPARKY, Lee W, Tonelli M, Markley JL - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

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