BMRB Entry 25454

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25454
MolProbity Validation Chart

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Title:
Solution structure of a bacterial chaperone
Deposition date:
2015-01-27
Original release date:
2016-01-04
Authors:
Jin, Changwen; Hu, Yunfei; Ding, Jienv
Citation:

Citation: Ding, Jienv; Yang, Chengfeng; Niu, Xiaogang; Hu, Yunfei; Jin, Changwen. "HdeB chaperone activity is coupled to its intrinsic dynamic properties"  Sci. Rep. 5, 16856-16856 (2015).
PubMed: 26593705

Assembly members:

Assembly members:
entity, polymer, 79 residues, 9074.292 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-28a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: ANESAKDMTCQEFIDLNPKA MTPVAWWMLHEETVYKGGDT VTLNETDLTQIPKVIEYCKK NPQKNLYTFKNQASNDLPN

Data sets:
Data typeCount
13C chemical shifts337
15N chemical shifts86
1H chemical shifts524

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_21

Entities:

Entity 1, entity_1 79 residues - 9074.292 Da.

1   ALAASNGLUSERALALYSASPMETTHRCYS
2   GLNGLUPHEILEASPLEUASNPROLYSALA
3   METTHRPROVALALATRPTRPMETLEUHIS
4   GLUGLUTHRVALTYRLYSGLYGLYASPTHR
5   VALTHRLEUASNGLUTHRASPLEUTHRGLN
6   ILEPROLYSVALILEGLUTYRCYSLYSLYS
7   ASNPROGLNLYSASNLEUTYRTHRPHELYS
8   ASNGLNALASERASNASPLEUPROASN

Samples:

sample_1: entity_1, [U-13C; U-15N], 2 – 3 mM; entity_2, [U-13C; U-15N], 2 – 3 mM; sodium phosphate 50 mM; citric acid 45 mM; D2O 10%; H2O 90%

sample_2: entity_1, [U-15N], 1 – 2 mM; entity_2, [U-15N], 1 – 2 mM; sodium phosphate 50 mM; citric acid 45 mM; D2O 10%; H2O 90%

sample_conditions_1: ionic strength: 0.17 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D (H)CCH-TOCSYsample_1isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 700 MHz
  • Bruker Avance 800 MHz

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