BMRB Entry 34695

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34695
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Solution NMR structure of halophilic DnaE intein
Deposition date:
2021-12-15
Original release date:
2022-04-22
Authors:
Heikkinen, H.; Aranko, S.; Iwai, H.
Citation:

Citation: Heikkinen, H.; Aranko, A.; Iwai, H.. "The NMR structure of the engineered halophilic DnaE intein for segmental isotopic labeling using conditional protein splicing"  J. Magn. Reson. 338, 107195-107195 (2022).
PubMed: 35398651

Assembly members:

Assembly members:
entity_1, polymer, 140 residues, 15460.542 Da.

Natural source:

Natural source:   Common Name: Nostoc   Taxonomy ID: 1177   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Nostoc not available

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SGGALSYDTEILTTEYGLLP IGDIVESETECTVYSVDSDG STYTQGVAEWHDRGEQEVFE YCLEDGSTIRATKDHKFMTT DGEMLPIDEIFESELDLMRV DSSGDTKIATREYTGSEDVY DIGVESDHNFALSDGFIASN

Data sets:
Data typeCount
13C chemical shifts547
15N chemical shifts133
1H chemical shifts871

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 140 residues - 15460.542 Da.

1   SERGLYGLYALALEUSERTYRASPTHRGLU
2   ILELEUTHRTHRGLUTYRGLYLEULEUPRO
3   ILEGLYASPILEVALGLUSERGLUTHRGLU
4   CYSTHRVALTYRSERVALASPSERASPGLY
5   SERTHRTYRTHRGLNGLYVALALAGLUTRP
6   HISASPARGGLYGLUGLNGLUVALPHEGLU
7   TYRCYSLEUGLUASPGLYSERTHRILEARG
8   ALATHRLYSASPHISLYSPHEMETTHRTHR
9   ASPGLYGLUMETLEUPROILEASPGLUILE
10   PHEGLUSERGLULEUASPLEUMETARGVAL
11   ASPSERSERGLYASPTHRLYSILEALATHR
12   ARGGLUTYRTHRGLYSERGLUASPVALTYR
13   ASPILEGLYVALGLUSERASPHISASNPHE
14   ALALEUSERASPGLYPHEILEALASERASN

Samples:

sample_1: DnaE intein, [20% 13C], [U-15N], 1.6 mM; NaCl 2 M

sample_conditions_1: ionic strength: 2 M; pH: 6.0; pressure: 1 bar; temperature: 303 K

Experiments:

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

Software:

TopSpin v3.2, Bruker Biospin - collection

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

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

NMR spectrometers:

  • Bruker AVANCE III HD 850 MHz

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