BMRB Entry 27431

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27431

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Title:
Backbone 1H, 13C, and 15N Chemical Shift Assignments for BamA barrel of E.coli
Deposition date:
2018-03-20
Original release date:
2018-09-19
Authors:
Hartmann, Jean-Baptiste; Zahn, Michael; Hiller, Sebastian
Citation:

Citation: Hartmann, Jean-Baptiste; Zahn, Michael; Burmann, Irena Matecko; Bibow, Stefan; Hiller, Sebastian. "Sequence-Specific Solution NMR Assignments of the beta-Barrel Insertase BamA to Monitor Its Conformational Ensemble at the Atomic Level"  J. Am. Chem. Soc. 140, 11252-11260 (2018).
PubMed: 30125090

Assembly members:

Assembly members:
BamA_barrel, polymer, 442 residues, 49548.07 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: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BamA_barrel: MGSSHHHHHHSSGENLYFQH MRNTGSFNFGIGYATESGVS FQAGVQQDNWLGTGYAVGIN GTKNDYQTYAELSVTNPYFT VDGVSLGGRLFYNDFQADDA DLSDYTNKSYGTDVTLGFPI NEYNSLRAGLGYVHNSLSNM QPQVAMWRYLYSMGEHPSTS DQDNSFKTDDFTFNYGWTYN KLDRGYFPTDGSRVNLTGKV TIPGSDNEYYKVTLDTATYV PIDDDHKWVVLGRTRWGYGD GLGGKEMPFYENFYAGGSST VRGFQSNTIGPKAVYFPHQA SNYDPDYDYESATQDGAKDL SKSDDAVGGNAMAVASLEFI TPTPFISDKYANSVRTSFFW DMGTVWDTNWDSSQYSGYPD YSDPSNIRMSAGIALQWMSP LGPLVFSYAQPFKKYDGDKA EQFQFNIGKTWMENVALDFS YEQSRIRSVDVGTWIAGVGY RF

Data sets:
Data typeCount
13C chemical shifts293
15N chemical shifts191
1H chemical shifts191

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1BamA1

Entities:

Entity 1, BamA 442 residues - 49548.07 Da.

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYGLUASNLEUTYRPHEGLNHIS
3   METARGASNTHRGLYSERPHEASNPHEGLY
4   ILEGLYTYRALATHRGLUSERGLYVALSER
5   PHEGLNALAGLYVALGLNGLNASPASNTRP
6   LEUGLYTHRGLYTYRALAVALGLYILEASN
7   GLYTHRLYSASNASPTYRGLNTHRTYRALA
8   GLULEUSERVALTHRASNPROTYRPHETHR
9   VALASPGLYVALSERLEUGLYGLYARGLEU
10   PHETYRASNASPPHEGLNALAASPASPALA
11   ASPLEUSERASPTYRTHRASNLYSSERTYR
12   GLYTHRASPVALTHRLEUGLYPHEPROILE
13   ASNGLUTYRASNSERLEUARGALAGLYLEU
14   GLYTYRVALHISASNSERLEUSERASNMET
15   GLNPROGLNVALALAMETTRPARGTYRLEU
16   TYRSERMETGLYGLUHISPROSERTHRSER
17   ASPGLNASPASNSERPHELYSTHRASPASP
18   PHETHRPHEASNTYRGLYTRPTHRTYRASN
19   LYSLEUASPARGGLYTYRPHEPROTHRASP
20   GLYSERARGVALASNLEUTHRGLYLYSVAL
21   THRILEPROGLYSERASPASNGLUTYRTYR
22   LYSVALTHRLEUASPTHRALATHRTYRVAL
23   PROILEASPASPASPHISLYSTRPVALVAL
24   LEUGLYARGTHRARGTRPGLYTYRGLYASP
25   GLYLEUGLYGLYLYSGLUMETPROPHETYR
26   GLUASNPHETYRALAGLYGLYSERSERTHR
27   VALARGGLYPHEGLNSERASNTHRILEGLY
28   PROLYSALAVALTYRPHEPROHISGLNALA
29   SERASNTYRASPPROASPTYRASPTYRGLU
30   SERALATHRGLNASPGLYALALYSASPLEU
31   SERLYSSERASPASPALAVALGLYGLYASN
32   ALAMETALAVALALASERLEUGLUPHEILE
33   THRPROTHRPROPHEILESERASPLYSTYR
34   ALAASNSERVALARGTHRSERPHEPHETRP
35   ASPMETGLYTHRVALTRPASPTHRASNTRP
36   ASPSERSERGLNTYRSERGLYTYRPROASP
37   TYRSERASPPROSERASNILEARGMETSER
38   ALAGLYILEALALEUGLNTRPMETSERPRO
39   LEUGLYPROLEUVALPHESERTYRALAGLN
40   PROPHELYSLYSTYRASPGLYASPLYSALA
41   GLUGLNPHEGLNPHEASNILEGLYLYSTHR
42   TRPMETGLUASNVALALALEUASPPHESER
43   TYRGLUGLNSERARGILEARGSERVALASP
44   VALGLYTHRTRPILEALAGLYVALGLYTYR
45   ARGPHE

Samples:

BamA_triple_labeled: BamA barrel, [U-13C; U-15N; U-2H], 700 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO, [U-2H], 0.1%

BamA-Ala: BamA barrel, [U-2H], [U-15N]-Ala, 180 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Val: BamA barrel, [U-2H], [U-15N]-Val, 160 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Ile: BamA barrel, [U-2H], [U-15N]-Ile, 100 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Leu: BamA barrel, [U-2H], [U-15N]-Leu, 100 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Met: BamA barrel, [U-2H], [U-15N]-Leu, 220 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Gly: BamA barrel, [U-2H], [U-15N]-Gly, 454 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Thr: BamA barrel, [U-2H], [U-15N]-Thr, 256 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Asp: BamA barrel, [U-2H; U-15N], [U-14N]-Asp, 240 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-His: BamA barrel, [U-2H], [U-15N]-His, 140 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Gln: BamA barrel, [U-2H; U-15N], [U-14N]-Gln, 190 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Arg: BamA barrel, [U-2H], [U-15N]-Arg, 115 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Lys: BamA barrel, [U-13C; U-15N; U-2H] [U-12C; U-14N]-Lys, 140 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Trp: BamA barrel, [U-2H; U-15N], [U-14N]-Trp, 250 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Serine: BamA barrel, [U-2H], [U-15N]-Thr, 211 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Phe: BamA barrel, [U-2H], [U-15N]-Phe, 200 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-Tyr: BamA barrel, [U-2H], [U-15N]-Tyr, 320 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO 0.1 % v/v

BamA-HHN-NOESY: BamA barrel, [U-15N; U-2H], 700 uM; sodium phosphate 20 mM; sodium chloride 150 mM; LDAO, [U-2H], 0.1%

sample_conditions_1: ionic strength: 0.15 M; pH: 7.5; pressure: 1 atm; temperature: 310.15 K

Experiments:

NameSampleSample stateSample conditions
3D HNCABamA_triple_labeledisotropicsample_conditions_1
3D HNCACBBamA_triple_labeledisotropicsample_conditions_1
3D 1H-15N NOESYBamA-HHN-NOESYisotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 700 MHz
  • Bruker Avance 900 MHz

Related Database Links:

PDB

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