BMRB Entry 25080

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25080

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Title:
The backbone chemical shift assignments of [FeZn]-IMP-1 metallo-beta-lactamase
Deposition date:
2014-07-08
Original release date:
2014-07-16
Authors:
Carruthers, Thomas; Otting, Gottfried
Citation:

Citation: Carruthers, Thomas; Carr, Paul; Loh, Choy-Theng; Jackson, Colin; Otting, Gottfried. "Iron(III) Located in the Dinuclear Metallo-beta-Lactamase IMP-1 by Pseudocontact Shifts."  Angew. Chem. Int. Ed. 53, 14269-14272 (2014).
PubMed: 25320022

Assembly members:

Assembly members:
IMP-1, polymer, 233 residues, 25628.3184 Da.
FE (III) ION, non-polymer, 55.845 Da.
ZINC ION, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: Pseudomonas aeruginosa   Taxonomy ID: 287   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Pseudomonas aeruginosa

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
IMP-1: MASMTGESLPDLKIEKLDEG VYVHTSFEEVNGWGVVPKHG LVVLVNAEAYLIDTPFTAKD TEKLVTWFVERGYKIKGSIS SHFHSDSTGGIEWLNSRSIP TYASELTNELLKKDGKVQAT NSFSGVNYWLVKNKIEVFYP GPGHTPDNVVVWLPERKILF GGCFIKPYGLGNLGDANIEA WPKSAKLLKSKYGKAKLVVP SHSEVGDASLLKLTLEQAVK GLNESKKPSKPSN

Data sets:
Data typeCount
13C chemical shifts162
1H chemical shifts156
15N chemical shifts156

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1IMP-11
2FE (III) ION2
3ZINC ION3

Entities:

Entity 1, IMP-1 233 residues - 25628.3184 Da.

Residues -4 to 1 (MASMTG) represent a non-native T7 expression tag used for improved protein production yields in cell-free protein synthesis

1   METALASERMETTHRGLYGLUSERLEUPRO
2   ASPLEULYSILEGLULYSLEUASPGLUGLY
3   VALTYRVALHISTHRSERPHEGLUGLUVAL
4   ASNGLYTRPGLYVALVALPROLYSHISGLY
5   LEUVALVALLEUVALASNALAGLUALATYR
6   LEUILEASPTHRPROPHETHRALALYSASP
7   THRGLULYSLEUVALTHRTRPPHEVALGLU
8   ARGGLYTYRLYSILELYSGLYSERILESER
9   SERHISPHEHISSERASPSERTHRGLYGLY
10   ILEGLUTRPLEUASNSERARGSERILEPRO
11   THRTYRALASERGLULEUTHRASNGLULEU
12   LEULYSLYSASPGLYLYSVALGLNALATHR
13   ASNSERPHESERGLYVALASNTYRTRPLEU
14   VALLYSASNLYSILEGLUVALPHETYRPRO
15   GLYPROGLYHISTHRPROASPASNVALVAL
16   VALTRPLEUPROGLUARGLYSILELEUPHE
17   GLYGLYCYSPHEILELYSPROTYRGLYLEU
18   GLYASNLEUGLYASPALAASNILEGLUALA
19   TRPPROLYSSERALALYSLEULEULYSSER
20   LYSTYRGLYLYSALALYSLEUVALVALPRO
21   SERHISSERGLUVALGLYASPALASERLEU
22   LEULYSLEUTHRLEUGLUGLNALAVALLYS
23   GLYLEUASNGLUSERLYSLYSPROSERLYS
24   PROSERASN

Entity 2, FE (III) ION - Fe - 55.845 Da.

1   FE

Entity 3, ZINC ION - Zn - 65.409 Da.

1   ZN

Samples:

FeZN-IMP-1_in_vivo: [ZnZn]IMP-1, [U-13C; U-15N], 0.4 mM; MES 20 mM; sodium chloride 100 mM; H2O 90%; D2O 10%

IMP1: ionic strength: 0.120 M; pH: 6.500; pressure: 1.000 atm; temperature: 310.000 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAFeZN-IMP-1_in_vivoisotropicIMP1
2D 1H-15N HSQCFeZN-IMP-1_in_vivoisotropicIMP1

Software:

CcpNmr_Analysis v2.3, CCPN - Spectrum display, Spectrum analysis

Topspin v2.1, Bruker - Data Acquisition

nmrDraw vany, F. Delaglio/NIH - Spectrum display

nmrPipe vany, F. Delaglio/NIH - Spectrum processing

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

PDB
BMRB 25063
DBJ BAA06111 BAA08930 BAA23768 BAA77393 BAB15941
EMBL CAA11471 CAA67040 CAG26809 CAK55556 CAK55562
GB AAB30289 AAL10407 AAL17637 AAN87168 AAP04478
REF WP_003159548 WP_032490175 WP_032492096 WP_032492622 WP_057694208
SP P52699
AlphaFold P52699

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