BMRB Entry 50777

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50777

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Title:
Chemical Shift Assignments of OXA-24/40
Deposition date:
2021-02-18
Original release date:
2021-07-12
Authors:
Staude, Michael; VanPelt, Jamie; Peng, Jeffrey
Citation:

Citation: VanPelt, Jamie; Stoffel, Shannon; Staude, Michael; Dempster, Kayla; Rose, Heath; Graney, Sarah; Graney, Erin; Braynard, Sara; Kovrigina, Elizaveta; Leonard, David; Peng, Jeffrey. "Arginine Modulates Carbapenem Deactivation by OXA-24/40 in Acinetobacter baumannii"  J. Mol. Biol. 433, 167150-167150 (2021).
PubMed: 34271009

Assembly members:

Assembly members:
entity_1, polymer, 252 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Acinetobacter baumannii   Taxonomy ID: 470   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Acinetobacter baumannii

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pet24a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KTKSEDNFHISSQQHEKAIK SYFDEAQTQGVIIIKEGKNL STYGNALARANKEYVPASTF KMLNALIGLENHKATTNEIF KWDGKKRTYPMWEKDMTLGE AMALSAVPVYQELARRTGLE LMQKEVKRVNFGNTNIGTQV DNFWLVGPLKITPVQEVNFA DDLAHNRLPFKLETQEEVKK MLLIKEVNGSKIYAKSGWGM GVTPQVGWLTGWVEQANGKK IPFSLNLEMKEGMSGSIRNE ITYKSLENLGII

Data sets:
Data typeCount
13C chemical shifts644
15N chemical shifts231
1H chemical shifts231

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1OXA-24/401

Entities:

Entity 1, OXA-24/40 252 residues - Formula weight is not available

Construct starts at residue 24 (Lys)

1   LYSTHRLYSSERGLUASPASNPHEHISILE
2   SERSERGLNGLNHISGLULYSALAILELYS
3   SERTYRPHEASPGLUALAGLNTHRGLNGLY
4   VALILEILEILELYSGLUGLYLYSASNLEU
5   SERTHRTYRGLYASNALALEUALAARGALA
6   ASNLYSGLUTYRVALPROALASERTHRPHE
7   LYSMETLEUASNALALEUILEGLYLEUGLU
8   ASNHISLYSALATHRTHRASNGLUILEPHE
9   LYSTRPASPGLYLYSLYSARGTHRTYRPRO
10   METTRPGLULYSASPMETTHRLEUGLYGLU
11   ALAMETALALEUSERALAVALPROVALTYR
12   GLNGLULEUALAARGARGTHRGLYLEUGLU
13   LEUMETGLNLYSGLUVALLYSARGVALASN
14   PHEGLYASNTHRASNILEGLYTHRGLNVAL
15   ASPASNPHETRPLEUVALGLYPROLEULYS
16   ILETHRPROVALGLNGLUVALASNPHEALA
17   ASPASPLEUALAHISASNARGLEUPROPHE
18   LYSLEUGLUTHRGLNGLUGLUVALLYSLYS
19   METLEULEUILELYSGLUVALASNGLYSER
20   LYSILETYRALALYSSERGLYTRPGLYMET
21   GLYVALTHRPROGLNVALGLYTRPLEUTHR
22   GLYTRPVALGLUGLNALAASNGLYLYSLYS
23   ILEPROPHESERLEUASNLEUGLUMETLYS
24   GLUGLYMETSERGLYSERILEARGASNGLU
25   ILETHRTYRLYSSERLEUGLUASNLEUGLY
26   ILEILE

Samples:

sample_1: OXA-24/40, [U-100% 13C; U-100% 15N; U-80% 2H], 500 mM; sodium phosphate 20 mM; NaCl 30 mM; D2O, [U-99% 2H], 10%; sodium azide 0.03%

sample_conditions_1: ionic strength: 30 mM; pH: 7.0; pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D CBCANHsample_1isotropicsample_conditions_1

Software:

SPARKY - chemical shift assignment

TOPSPIN - collection

NMR spectrometers:

  • Bruker Avance 700 MHz

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