BMRB Entry 26535

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26535

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Title:
Assignment of the BeF3-activated PmrA response regulator from Klebsiella pneumoniae in complex with the promoter DNA
Deposition date:
2015-03-09
Original release date:
2015-11-12
Authors:
Lou, Yuan-Chao; Kao, Yi-Fen; Chen, Chinpan
Citation:

Citation: Lou, Yuan-Chao; Weng, Tsai-Hsuan; Li, Yi-Chuan; Kao, Yi-Fen; Chou, Shan-Ho; Hsiao, Chwan-Deng; Chen, Chinpan. "Structure and dynamics of polymyxin-resistance-associated response regulator PmrA in complex with promoter DNA"  Nat. Commun. 6, 8838-8838 (2015).
PubMed: 26564787

Assembly members:

Assembly members:
PmrA, polymer, 231 residues, Formula weight is not available
DNA, polymer, 25 residues, Formula weight is not available
BERYLLIUM TRIFLUORIDE ION, non-polymer, 66.007 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pet29b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PmrA: MKILVIEDDALLLQGLILAM QSEGYVCDGVSTAHEAALSL ASNHYSLIVLDLGLPDEDGL HFLSRMRREKMTQPVLILTA RDTLEDRISGLDTGADDYLV KPFALEELNARIRALLRRHN NQGDNEISVGNLRLNVTRRL VWLGETALDLTPKEYALLSR LMMKAGSPVHREILYNDIYS GDNEPATNTLEVHIHNLREK IGKSRIRTVRGFGYMLANND DTELEHHHHHH
DNA: ATTTCTTAATATTATCCTAA GCAAG

Data sets:
Data typeCount
13C chemical shifts502
15N chemical shifts200
1H chemical shifts497

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1subunit 11
2subunit 21
3DNA2
4BERYLLIUM TRIFLUORIDE ION3

Entities:

Entity 1, subunit 1 231 residues - Formula weight is not available

1   METLYSILELEUVALILEGLUASPASPALA
2   LEULEULEUGLNGLYLEUILELEUALAMET
3   GLNSERGLUGLYTYRVALCYSASPGLYVAL
4   SERTHRALAHISGLUALAALALEUSERLEU
5   ALASERASNHISTYRSERLEUILEVALLEU
6   ASPLEUGLYLEUPROASPGLUASPGLYLEU
7   HISPHELEUSERARGMETARGARGGLULYS
8   METTHRGLNPROVALLEUILELEUTHRALA
9   ARGASPTHRLEUGLUASPARGILESERGLY
10   LEUASPTHRGLYALAASPASPTYRLEUVAL
11   LYSPROPHEALALEUGLUGLULEUASNALA
12   ARGILEARGALALEULEUARGARGHISASN
13   ASNGLNGLYASPASNGLUILESERVALGLY
14   ASNLEUARGLEUASNVALTHRARGARGLEU
15   VALTRPLEUGLYGLUTHRALALEUASPLEU
16   THRPROLYSGLUTYRALALEULEUSERARG
17   LEUMETMETLYSALAGLYSERPROVALHIS
18   ARGGLUILELEUTYRASNASPILETYRSER
19   GLYASPASNGLUPROALATHRASNTHRLEU
20   GLUVALHISILEHISASNLEUARGGLULYS
21   ILEGLYLYSSERARGILEARGTHRVALARG
22   GLYPHEGLYTYRMETLEUALAASNASNASP
23   ASPTHRGLULEUGLUHISHISHISHISHIS
24   HIS

Entity 2, DNA 25 residues - Formula weight is not available

1   DADTDTDTDCDTDTDADADT
2   DADTDTDADTDCDCDTDADA
3   DGDCDADADG

Entity 3, BERYLLIUM TRIFLUORIDE ION - Be F3 - 66.007 Da.

1   BEF

Samples:

sample_1: PmrA, [U-99% 13C; U-99% 15N; U-95% 2H]], 0.5 mM; DNA 0.5 mM; TRIS 20 mM; NaCl 100 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.22 M; pH: 8.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 850 MHz

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