BMRB Entry 18396

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18396

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Title:
nanocrystalline DsbA 1H, 13C, 15N chemical shifts
Deposition date:
2012-04-13
Original release date:
2012-09-24
Authors:
Zhou, Donghua
Citation:

Citation: Zhou, Donghua; Nieuwkoop, Andrew; Berthold, Deborah; Comellas, Gemma; Sperling, Lindsay; Tang, Ming; Shah, Gautam; Brea, Elliott; Lemkau, Luisel; Rienstra, Chad. "Solid-state NMR analysis of membrane proteins and protein aggregates by proton detected spectroscopy."  J. Biomol. NMR 54, 291-305 (2012).
PubMed: 22986689

Assembly members:

Assembly members:
oxidized_DsbA, polymer, 189 residues, Formula weight is not available

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: pSS18

Entity Sequences (FASTA):

Entity Sequences (FASTA):
oxidized_DsbA: AQYEDGKQYTTLEKPVAGAP QVLEFFSFFCPHCYQFEEVL HISDNVKKKLPEGVKMTKYH VNFMGGDLGKDLTQAWAVAM ALGVEDKVTVPLFEGVQKTQ TIRSASDIRDVFINAGIKGE EYDAAWNSFVVKSLVAQQQK AAADVQLRGVPAMFVNGKYQ LNPQGMDTSNMDVFVQQYAD TVKYLSEKK

Data sets:
Data typeCount
13C chemical shifts427
15N chemical shifts138
1H chemical shifts140

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1nanocrystalline DsbA1

Entities:

Entity 1, nanocrystalline DsbA 189 residues - Formula weight is not available

1   ALAGLNTYRGLUASPGLYLYSGLNTYRTHR
2   THRLEUGLULYSPROVALALAGLYALAPRO
3   GLNVALLEUGLUPHEPHESERPHEPHECYS
4   PROHISCYSTYRGLNPHEGLUGLUVALLEU
5   HISILESERASPASNVALLYSLYSLYSLEU
6   PROGLUGLYVALLYSMETTHRLYSTYRHIS
7   VALASNPHEMETGLYGLYASPLEUGLYLYS
8   ASPLEUTHRGLNALATRPALAVALALAMET
9   ALALEUGLYVALGLUASPLYSVALTHRVAL
10   PROLEUPHEGLUGLYVALGLNLYSTHRGLN
11   THRILEARGSERALASERASPILEARGASP
12   VALPHEILEASNALAGLYILELYSGLYGLU
13   GLUTYRASPALAALATRPASNSERPHEVAL
14   VALLYSSERLEUVALALAGLNGLNGLNLYS
15   ALAALAALAASPVALGLNLEUARGGLYVAL
16   PROALAMETPHEVALASNGLYLYSTYRGLN
17   LEUASNPROGLNGLYMETASPTHRSERASN
18   METASPVALPHEVALGLNGLNTYRALAASP
19   THRVALLYSTYRLEUSERGLULYSLYS

Samples:

sample_1: oxidized DsbA, [U-13C; U-15N; U-2H], 3.3 mg

sample_conditions_1: pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
CANHsample_1solidsample_conditions_1
CA(CO)NHsample_1solidsample_conditions_1
NHsample_1solidsample_conditions_1
CONHsample_1solidsample_conditions_1
CO(CA)NHsample_1solidsample_conditions_1
CBCANHsample_1solidsample_conditions_1
CBCA(CO)NHsample_1solidsample_conditions_1

Software:

SPARKY, Goddard - data analysis

NMR spectrometers:

  • Varian INOVA 750 MHz

Related Database Links:

BMRB 16327 17710 18543 18544
PDB
DBJ BAB38206 BAE77448 BAG79665 BAI27892 BAI33015
EMBL CAA44868 CAA56736 CAA90910 CAP78318 CAQ34212
GB AAA23715 AAB02995 AAC43519 AAC43520 AAC43521
REF NP_312810 NP_418297 NP_709659 WP_000725331 WP_000725332
SP P0A4L5 P0A4L6 P0AEG4 P0AEG5 P52235
AlphaFold P0A4L5 P0A4L6 P0AEG4 P0AEG5 P52235

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