BMRB Entry 53131

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53131

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Title:
Backbone chemical shifts for K. pneumonia NCD-ILV MipA in DPC micelles
Deposition date:
2025-05-09
Original release date:
2025-06-13
Authors:
Shurina, Ben; Ramelot, Theresa; Huang, Yuanpeng; Liu, Gaohua; Ishida, Yojiro; Inouye, Masayori; Montelione, Gaetano
Citation:

Citation: Shurina, Ben. "Integrative structure of MipA from sparse NOE data"  BioRxiv ., .-. (2025).

Assembly members:

Assembly members:
entity_1, polymer, 238 residues, 29000 Da.

Natural source:

Natural source:   Common Name: Klebsiella pneumoniae   Taxonomy ID: 573   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Klebsiella pneumoniae

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli BL21(DE3)   Vector: pET15_SUMO_NESG

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MNHKVHHHHHHMDGKFTLGA GVGVVEHPYKQYDADVYPVP VISYESENFWFHGLGGGYYL WNDTNDKLSITAYWSPMYFK PGDSDSEQMRRLDKRKSTVM AGLSYVHNTPYGFLRTTIAG DTLDNSNGINWDLAWLYRYT NGNLTLTPGIGVEWNSDNQN EYYYGVSRHESRRSGMRSYD PDSSWNPYLELSANYRFLGD WSVYGVARYTRLSDEITDSP MVDKSWSGLISTGITYTF

Data sets:
Data typeCount
13C chemical shifts391
15N chemical shifts185
1H chemical shifts185

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MipA1

Entities:

Entity 1, MipA 238 residues - 29000 Da.

12 tag residues at the N-terminus followed by MipA (23-248) with signal sequence removed

1   METASNHISLYSVALHISHISHISHISHIS
2   HISMETASPGLYLYSPHETHRLEUGLYALA
3   GLYVALGLYVALVALGLUHISPROTYRLYS
4   GLNTYRASPALAASPVALTYRPROVALPRO
5   VALILESERTYRGLUSERGLUASNPHETRP
6   PHEHISGLYLEUGLYGLYGLYTYRTYRLEU
7   TRPASNASPTHRASNASPLYSLEUSERILE
8   THRALATYRTRPSERPROMETTYRPHELYS
9   PROGLYASPSERASPSERGLUGLNMETARG
10   ARGLEUASPLYSARGLYSSERTHRVALMET
11   ALAGLYLEUSERTYRVALHISASNTHRPRO
12   TYRGLYPHELEUARGTHRTHRILEALAGLY
13   ASPTHRLEUASPASNSERASNGLYILEASN
14   TRPASPLEUALATRPLEUTYRARGTYRTHR
15   ASNGLYASNLEUTHRLEUTHRPROGLYILE
16   GLYVALGLUTRPASNSERASPASNGLNASN
17   GLUTYRTYRTYRGLYVALSERARGHISGLU
18   SERARGARGSERGLYMETARGSERTYRASP
19   PROASPSERSERTRPASNPROTYRLEUGLU
20   LEUSERALAASNTYRARGPHELEUGLYASP
21   TRPSERVALTYRGLYVALALAARGTYRTHR
22   ARGLEUSERASPGLUILETHRASPSERPRO
23   METVALASPLYSSERTRPSERGLYLEUILE
24   SERTHRGLYILETHRTYRTHRPHE

Samples:

sample_1: MipA, NCD-ILV, 0.25 ± 0.05 mM; sodium chloride 200 ± 10 mM; sodium azide 0.02 ± .005 % w/v; sodium phosphate 20 ± 1 mM; DPC 0.2 ± 0.05 % w/v

sample_2: MipA, [U-100% 15N], 0.25 ± 0.05 mM; sodium chloride 200 ± 10 mM; sodium azide 0.02 ± .005 % w/v; sodium phosphate 20 ± 1 mM; DPC 0.2 ± 0.05 % w/v

sample_conditions_2: ionic strength: 200 mM; pH: 7.5; pressure: 1 atm; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_2
2D 1H-15N TROSYsample_2isotropicsample_conditions_2

Software:

NMRFAM-SPARKY v1.37 - peak picking, spectra visualization, and exporting bmrb file

NMRPipe vv10.9 - processing

TOPSPIN v4.0 - collection

NMR spectrometers:

  • Bruker AVANCE III 800 MHz
  • Bruker AVANCE III 600 MHz

Related Database Links:

NCBI 206565462

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