BMRB Entry 51639

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51639

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Title:
Solid State MAS NMR chemical shift assignment of KR2 in DMPC/DMPA proteoliposomes
Deposition date:
2022-09-26
Original release date:
2022-10-01
Authors:
Kriebel, Clara; Becker-Baldus, Johanna; Glaubitz, Clemens
Citation:

Citation: Kriebel, Clara Nassrin; Asido, Marvin; Kaur, Jagdeep; Orth, Jennifer; Braun, Philipp; Becker-Baldus, Johanna; Wachtveitl, Josef; Glaubitz, Clemens. "Structural and functional consequences of the H180A mutation of the light-driven sodium pump KR2"  Biophys. J. 122, 1003-1017 (2023).
PubMed: 36528791

Assembly members:

Assembly members:
entity_1, polymer, 288 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Dokdonia eikasta   Taxonomy ID: 308116   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Dokdonia eikasta

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET26b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MTQELGNANFENFIGATEGF SEIAYQFTSHILTLGYAVML AGLLYFILTIKNVDKKFQMS NILSAVVMVSAFLLLYAQAQ NWTSSFTFNEEVGRYFLDPS GDLFNNGYRYLNWLIDVPML LFQILFVVSLTTSKFSSVRN QFWFSGAMMIITGYIGQFYE VSNLTAFLVWGAISSAFFFH ILWVMKKVINEGKEGISPAG QKILSNIWILFLISWTLYPG AYLMPYLTGVDGFLYSEDGV MARQLVYTIADVSSKVIYGV LLGNLAITLSKNKELVEANS LEHHHHHH

Data sets:
Data typeCount
13C chemical shifts703
15N chemical shifts177

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Protomer1

Entities:

Entity 1, Protomer 288 residues - Formula weight is not available

1   METTHRGLNGLULEUGLYASNALAASNPHE
2   GLUASNPHEILEGLYALATHRGLUGLYPHE
3   SERGLUILEALATYRGLNPHETHRSERHIS
4   ILELEUTHRLEUGLYTYRALAVALMETLEU
5   ALAGLYLEULEUTYRPHEILELEUTHRILE
6   LYSASNVALASPLYSLYSPHEGLNMETSER
7   ASNILELEUSERALAVALVALMETVALSER
8   ALAPHELEULEULEUTYRALAGLNALAGLN
9   ASNTRPTHRSERSERPHETHRPHEASNGLU
10   GLUVALGLYARGTYRPHELEUASPPROSER
11   GLYASPLEUPHEASNASNGLYTYRARGTYR
12   LEUASNTRPLEUILEASPVALPROMETLEU
13   LEUPHEGLNILELEUPHEVALVALSERLEU
14   THRTHRSERLYSPHESERSERVALARGASN
15   GLNPHETRPPHESERGLYALAMETMETILE
16   ILETHRGLYTYRILEGLYGLNPHETYRGLU
17   VALSERASNLEUTHRALAPHELEUVALTRP
18   GLYALAILESERSERALAPHEPHEPHEHIS
19   ILELEUTRPVALMETLYSLYSVALILEASN
20   GLUGLYLYSGLUGLYILESERPROALAGLY
21   GLNLYSILELEUSERASNILETRPILELEU
22   PHELEUILESERTRPTHRLEUTYRPROGLY
23   ALATYRLEUMETPROTYRLEUTHRGLYVAL
24   ASPGLYPHELEUTYRSERGLUASPGLYVAL
25   METALAARGGLNLEUVALTYRTHRILEALA
26   ASPVALSERSERLYSVALILETYRGLYVAL
27   LEULEUGLYASNLEUALAILETHRLEUSER
28   LYSASNLYSGLULEUVALGLUALAASNSER
29   LEUGLUHISHISHISHISHISHIS

Samples:

sample_1: Krokinobacter eikastus rhodopsin 2 (KR2), [U-98% 13C; U-98% 15N], 20 mg; DMPC 9 mg; DMPA 1 mg; TRIS pH 8.5 50 mM; MgCl2 5 mM; Gd-DOTA 2 mM

sample_2: Krokinobacter eikastus rhodopsin 2 (KR2), [U-13C; U-15N]-Phe, Tyr, Leu, Ile, Val, 20 mg; DMPC 9 mg; DMPA 1 mg; TRIS pH 8.5 50 mM; MgCl2 5 mM; Gd-DOTA 2 mM

sample_3: Krokinobacter eikastus rhodopsin 2 (KR2), [U-13C; U-15N] without Phe,Tyr,Leu; Ile,Val, 20 mg; DMPC 9 mg; DMPA 1 mg; TRIS pH 8.5 50 mM; MgCl2 5 mM; Gd-DOTA 2 mM

sample_conditions_1: pH: 8.5; pressure: 1 atm; temperature controller setting: 270 K

Experiments:

NameSampleSample stateSample conditions
3D NCOCXsample_1isotropicsample_conditions_1
3D NCACXsample_1isotropicsample_conditions_1
3D CONCAsample_1isotropicsample_conditions_1
3D NCOCXsample_2isotropicsample_conditions_1
3D NCACXsample_2isotropicsample_conditions_1
3D CONCAsample_2isotropicsample_conditions_1
3D NCOCXsample_3isotropicsample_conditions_1
3D NCACXsample_3isotropicsample_conditions_1
3D CONCAsample_3isotropicsample_conditions_1

Software:

TOPSPIN v3.6.x - collection, processing

CcpNMR v2 - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 850 MHz