BMRB Entry 51165

Title:
Backbone assignment of Verona integron encoded metallo-beta-lactamase 2 (VIM-2)
Deposition date:
2021-11-02
Original release date:
2022-03-07
Authors:
Wieske, Lianne; Bogaerts, Jonathan; Leding, Albin; Wilcox, Scott; Andersson Rasmussen, Anna; Leszczak, Kinga; Turunen, Lotta; Herrebout, Wouter; Hubert, Madlen; Bayer, Annette; Erdelyi, Mate
Citation:

Citation: Wieske, Lianne; Bogaerts, Jonathan; Leding, Albin; Wilcox, Scott; Andersson Rasmussen, Anna; Leszczak, Kinga; Turunen, Lotta; Herrebout, Wouter; Hubert, Madlen; Bayer, Annette; Erdelyi, Mate. "NMR Backbone Assignment of VIM-2 and Identification of the Active Enantiomer of a Potential Inhibitor"  ACS Med. Chem. Lett. 13, 257-261 (2022).

Assembly members:

Assembly members:
entity_1, polymer, 240 residues, Formula weight is not available
entity_ZN, 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: pDEST14

Data typeCount
13C chemical shifts1438
15N chemical shifts552
1H chemical shifts552

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1VIM-21
2Zn, 12
3Zn, 22

Entities:

Entity 1, VIM-2 240 residues - Formula weight is not available

1   VALASPSERSERGLYGLUTYRPROTHRVAL
2   SERGLUILEPROVALGLYGLUVALARGLEU
3   TYRGLNILEALAASPGLYVALTRPSERHIS
4   ILEALATHRGLNSERPHEASPGLYALAVAL
5   TYRPROSERASNGLYLEUILEVALARGASP
6   GLYASPGLULEULEULEUILEASPTHRALA
7   TRPGLYALALYSASNTHRALAALALEULEU
8   ALAGLUILEGLULYSGLNILEGLYLEUPRO
9   VALTHRARGALAVALSERTHRHISPHEHIS
10   ASPASPARGVALGLYGLYVALASPVALLEU
11   ARGALAALAGLYVALALATHRTYRALASER
12   PROSERTHRARGARGLEUALAGLUVALGLU
13   GLYASNGLUILEPROTHRHISSERLEUGLU
14   GLYLEUSERSERSERGLYASPALAVALARG
15   PHEGLYPROVALGLULEUPHETYRPROGLY
16   ALAALAHISSERTHRASPASNLEUVALVAL
17   TYRVALPROSERALASERVALLEUTYRGLY
18   GLYCYSALAILETYRGLULEUSERARGTHR
19   SERALAGLYASNVALALAASPALAASPLEU
20   ALAGLUTRPPROTHRSERILEGLUARGILE
21   GLNGLNHISTYRPROGLUALAGLNPHEVAL
22   ILEPROGLYHISGLYLEUPROGLYGLYLEU
23   ASPLEULEULYSHISTHRTHRASNVALVAL
24   LYSALAHISTHRASNARGSERVALVALGLU

Entity 2, Zn, 1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: VIM-2, [U-100% 13C; U-100% 15N], 500 uM; Zn 100 uM

sample_2: VIM-2, [U-100% 13C; U-100% 15N], 500 uM; Zn 100 uM; EtOH uM

sample_3: VIM2_EtOH_L-captopril, [U-100% 13C; U-100% 15N], 500 uM; Zn 100 uM; EtOH uM; L-captopril 750 uM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 310 K

sample_conditions_2: pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
3D HNCOsample_2isotropicsample_conditions_2
3D HN(CA)COsample_2isotropicsample_conditions_2
3D HNCAsample_2isotropicsample_conditions_2
3D HNCACBsample_2isotropicsample_conditions_2
3D HN(CO)CACBsample_2isotropicsample_conditions_2
2D 1H-15N HSQCsample_3isotropicsample_conditions_2
3D HNCOsample_3isotropicsample_conditions_2
3D HN(CA)COsample_3isotropicsample_conditions_2
3D HNCAsample_3isotropicsample_conditions_2
3D HNCACBsample_3isotropicsample_conditions_2
3D HN(CO)CACBsample_3isotropicsample_conditions_2

Software:

CcpNMR - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 700 MHz
  • Bruker AVANCE NEO 600 MHz

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