BMRB Entry 36409

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36409
MolProbity Validation Chart

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Title:
Solution strucutre of holo acyl carrier protein from Acinetobacter baumannii
Deposition date:
2021-02-10
Original release date:
2025-10-25
Authors:
Choi, S.; Park, J.; Kim, Y.
Citation:

Citation: Choi, S.; Park, J.; Kim, Y.. "solution structure of holo acyl carrier protein in acinetobacter baumannii"  .

Assembly members:

Assembly members:
Acyl carrier protein, polymer, 78 residues, 8674.571 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: 470   Superkingdom: Bacteria   Kingdom: Pseudomonadati   Genus/species: Acinetobacter baumannii

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Acyl carrier protein: MSDIEQRVKQAVAEQLGLKA EEIKNEASFMDDLGADSLDL VELVMSFENDFDITIPDEDS NEITTVQSAIDYVTKKLG

Data sets:
Data typeCount
13C chemical shifts304
15N chemical shifts74
1H chemical shifts482

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 78 residues - 8674.571 Da.

1   METSERASPILEGLUGLNARGVALLYSGLN
2   ALAVALALAGLUGLNLEUGLYLEULYSALA
3   GLUGLUILELYSASNGLUALASERPHEMET
4   ASPASPLEUGLYALAASPSERLEUASPLEU
5   VALGLULEUVALMETSERPHEGLUASNASP
6   PHEASPILETHRILEPROASPGLUASPSER
7   ASNGLUILETHRTHRVALGLNSERALAILE
8   ASPTYRVALTHRLYSLYSLEUGLY

Samples:

13C_15N_sample: acyl carrier protein, [U-100% 13C; U-100% 15N], 0.5 mM; sodium azide 0.02%; DTT 5 mM; calcium chloride 5 mM; MES 25 mM; H2O 90%; D2O, [U-2H], 10%

sample_2: acyl carrier protein 0.5 mM; sodium azide 0.02%; DTT 5 mM; calcium chloride 5 mM; MES 25 mM; H2O 90%; D2O, [U-2H], 10%

15N_sample: acyl carrier protein, [U-100% 15N], 0.5 mM; sodium azide 0.02%; DTT 5 mM; calcium chloride 5 mM; MES 25 mM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 15 mM; pH: 6.1; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 15 mM; pH: 6.1; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC13C_15N_sampleisotropicsample_conditions_1
3D HNCO13C_15N_sampleisotropicsample_conditions_1
3D HNCACB13C_15N_sampleisotropicsample_conditions_1
3D CBCA(CO)NH13C_15N_sampleisotropicsample_conditions_1
3D HBHA(CO)NH13C_15N_sampleisotropicsample_conditions_1
3D H(CCO)NH13C_15N_sampleisotropicsample_conditions_1
3D C(CO)NH13C_15N_sampleisotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
3D 1H-15N NOESY15N_sampleisotropicsample_conditions_1
3D 1H-13C NOESY13C_15N_sampleisotropicsample_conditions_1
2D HSQC-DSSE(IPAP)15N_sampleisotropicsample_conditions_1
2D HSQC-DSSE(IPAP)15N_sampleanisotropicsample_conditions_2

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure calculation

PONDEROSA-C/S, Lee, Stark and Markley - structure calculation

NMRFAM-SPARKY, Lee, Tonelli and Markley - chemical shift assignment

NMRFAM-SPARKY, Lee, Tonelli and Markley - peak picking

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

TopSpin, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AVANCE II 900 MHz
  • Bruker AVANCE III HD 700 MHz

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