BMRB Entry 50013

Title:
Assignment of 15N-labelled IMP13 metallo beta-lactamase bound to hydrolysed ertapenem
Deposition date:
2019-09-11
Original release date:
2020-03-19
Authors:
Softley, Charlotte; Zak, Krzysztof; Bostock, Mark; Fino, Roberto; Zhou, Richard; Kolonko, Marta; Mejdi-Nitiu, Ramona; Meyer, Hannelore; Sattler, Michael; Popowicz, Grzegorz
Citation:

Citation: Softley, Charlotte; Zak, Krzysztof; Bostock, Mark; Fino, Roberto; Zhou, Richard; Kolonko, Marta; Mejdi-Nitiu, Ramona; Meyer, Hannelore; Sattler, Michael; Popowicz, Grzegorz. "Structure and molecular recognition mechanism of IMP-13 beta-lactamase"  Antimicrobial Agents and Chemotherapy ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 228 residues, 25272.7907 Da.
entity_1RG, non-polymer, 477.531 Da.
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: pETM-11

Data sets:
Data typeCount
..

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1IMP131
2ertapenem2
3zinc_13
4zinc_23

Entities:

Entity 1, IMP13 228 residues - 25272.7907 Da.

1   METGLYALALEUPROASPLEULYSILEGLU
2   LYSLEUGLUGLUGLYVALPHEVALHISTHR
3   SERPHEGLUGLUVALASNGLYTRPGLYVAL
4   VALTHRLYSHISGLYLEUVALVALLEUVAL
5   ASNTHRASPALATYRLEUILEASPTHRPRO
6   PHETHRALATHRASPTHRGLULYSLEUVAL
7   ASNTRPPHEVALGLUARGGLYTYRGLUILE
8   LYSGLYTHRILESERSERHISPHEHISSER
9   ASPSERTHRGLYGLYILEGLUTRPLEUASN
10   SERGLNSERILEPROTHRTYRALASERGLU
11   LEUTHRASNGLULEULEULYSLYSSERGLY
12   LYSVALGLNALALYSTYRSERPHESERGLU
13   VALSERTYRTRPLEUVALLYSASNLYSILE
14   GLUVALPHETYRPROGLYPROGLYHISTHR
15   GLNASPASNLEUVALVALTRPLEUPROGLU
16   SERLYSILELEUPHEGLYGLYCYSPHEILE
17   LYSPROHISGLYLEUGLYASNLEUGLYASP
18   ALAASNLEUGLUALATRPPROLYSSERALA
19   LYSILELEUMETSERLYSTYRGLYLYSALA
20   LYSLEUVALVALSERSERHISSERGLULYS
21   GLYASPALASERLEUMETLYSARGTHRTRP
22   GLUGLNALALEULYSGLYLEULYSGLUSER
23   LYSLYSTHRSERSERPROSERASN

Entity 2, ertapenem - C22 H27 N3 O7 S - 477.531 Da.

1   1RG

Entity 3, zinc_1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: IMP13, [U-100% 15N; U-100% 13C], 0.55 mM; HEPES 50 mM; NaCl 100 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 7; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

CcpNmr Analysis v2.4, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 600 MHz