BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 27929

Title: BlaC bound to avibactam

Authors: Elings, Wouter; Ubbink, Marcellus

Citation: Elings, Wouter; Blok, Anneloes; Timmer, Monika; Ubbink, Marcellus. "BlaC dynamics"  Not known ., .-..

Assembly members:
BlaC, polymer, 266 residues, Formula weight is not available
entity_NXL, non-polymer, 267.260 Da.

Natural source:   Common Name: Mycobacterium tuberculosis   Taxonomy ID: 1773   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium tuberculosis

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

Entity Sequences (FASTA):
BlaC: GDLADRFAELERRYDARLGV YVPATGTTAAIEYRADERFA FCSTFKAPLVAAVLHQNPLT HLDKLITYTSDDIRSISPVA QQHVQTGMTIGQLCDAAIRY SDGTAANLLLADLGGPGGGT AAFTGYLRSLGDTVSRLDAE EPELNRDPPGDERDTTTPHA IALVLQQLVLGNALPPDKRA LLTDWMARNTTGAKRIRAGF PADWKVIDKTGTGDYGRAND IAVVWSPTGVPYVVAVMSDR AGGGYDAEPREALLAEAATC VAGVLA

Data sets:
Data typeCount
13C chemical shifts245
15N chemical shifts228
1H chemical shifts228
T1 relaxation values228
T2 relaxation values446
heteronuclear NOE values228
order parameters224

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BlaC1
2Avibactam2

Entities:

Entity 1, BlaC 266 residues - Formula weight is not available

Ambler standardised numbering for class A beta-lactamases

1   GLYASPLEUALAASPARGPHEALAGLULEU
2   GLUARGARGTYRASPALAARGLEUGLYVAL
3   TYRVALPROALATHRGLYTHRTHRALAALA
4   ILEGLUTYRARGALAASPGLUARGPHEALA
5   PHECYSSERTHRPHELYSALAPROLEUVAL
6   ALAALAVALLEUHISGLNASNPROLEUTHR
7   HISLEUASPLYSLEUILETHRTYRTHRSER
8   ASPASPILEARGSERILESERPROVALALA
9   GLNGLNHISVALGLNTHRGLYMETTHRILE
10   GLYGLNLEUCYSASPALAALAILEARGTYR
11   SERASPGLYTHRALAALAASNLEULEULEU
12   ALAASPLEUGLYGLYPROGLYGLYGLYTHR
13   ALAALAPHETHRGLYTYRLEUARGSERLEU
14   GLYASPTHRVALSERARGLEUASPALAGLU
15   GLUPROGLULEUASNARGASPPROPROGLY
16   ASPGLUARGASPTHRTHRTHRPROHISALA
17   ILEALALEUVALLEUGLNGLNLEUVALLEU
18   GLYASNALALEUPROPROASPLYSARGALA
19   LEULEUTHRASPTRPMETALAARGASNTHR
20   THRGLYALALYSARGILEARGALAGLYPHE
21   PROALAASPTRPLYSVALILEASPLYSTHR
22   GLYTHRGLYASPTYRGLYARGALAASNASP
23   ILEALAVALVALTRPSERPROTHRGLYVAL
24   PROTYRVALVALALAVALMETSERASPARG
25   ALAGLYGLYGLYTYRASPALAGLUPROARG
26   GLUALALEULEUALAGLUALAALATHRCYS
27   VALALAGLYVALLEUALA

Entity 2, Avibactam - C7 H13 N3 O6 S - 267.260 Da.

1   NXL

Samples:

15N-13C-BlaC_+_avi: BlaC, [U-100% 13C; U-100% 15N], 0.27 mM; MES 94 mM; D2O, [U-2H], 6%; Avibactam 2 mM

15N-BlaC_+_avi: BlaC, [U-95% 15N], 0.38 mM; MES 94 mM; D2O, [U-2H], 6%; Avibactam 2 mM

15N-BlaC_+_avi_2: BlaC, [U-95% 15N], 0.4 mM; MES 94 mM; D2O, [U-2H], 6%; Avibactam 100 mM

sample_conditions_1: pH: 6.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCA15N-13C-BlaC_+_aviisotropicsample_conditions_1
Pseudo-3D NOE15N-BlaC_+_aviisotropicsample_conditions_1
Pseudo-3D T115N-BlaC_+_aviisotropicsample_conditions_1
Pseudo-3D T215N-BlaC_+_aviisotropicsample_conditions_1
Pseudo-3D CPMG-RD15N-BlaC_+_avi_2isotropicsample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection, data analysis, processing

CcpNmr_Analysis v2.4.0, CCPN - chemical shift assignment, peak picking

FuDa, Hansen, Yang, Feng, Zhou, Wiesner, Bai and Kay - data analysis

NMR spectrometers:

  • Bruker Avance 850 MHz

Related Database Links:

UNP P9WKD3[43 - 307]