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 27067

Title: BlaC   PubMed: 29087696

Deposition date: 2017-04-07 Original release date: 2017-11-10

Authors: Elings, Wouter; Ubbink, Marcellus

Citation: Elings, Wouter; Tassoni, Raffaella; van der Schoot, Steven; Luu, Wendy; Kynast, Josef; Dai, Lin; Blok, Anneloes; Timmer, Monika; Florea, Bogdan; Pannu, Navraj; Ubbink, Marcellus. "Phosphate promotes the recovery of Mycobacterium tuberculosis \u03b2-lactamase from clavulanic acid inhibition"  Biochemistry 56, 6257-6267 (2017).

Assembly members:
BlaC, polymer, 274 residues, Formula weight is not available

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: MDLADRFAELERRYDARLGV YVPATGTTAAIEYRADERFA FCSTFKAPLVAAVLHQNPLT HLDKLITYTSDDIRSISPVA QQHVQTGMTIGQLCDAAIRY SDGTAANLLLADLGGPGGGT AAFTGYLRSLGDTVSRLDAE EPELNRDPPGDERDTTTPHA IALVLQQLVLGNALPPDKRA LLTDWMARNTTGAKRIRAGF PADWKVIDKTGTGDYGRAND IAVVWSPTGVPYVVAVMSDR AGGGYDAEPREALLAEAATC VAGVLALEHHHHHH

Data sets:
Data typeCount
13C chemical shifts769
15N chemical shifts248
1H chemical shifts248

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BlaC1

Entities:

Entity 1, BlaC 274 residues - Formula weight is not available

Ambler standardised numbering for class A beta-lactamases

1   METASPLEUALAASPARGPHEALAGLULEU
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   VALALAGLYVALLEUALALEUGLUHISHIS
28   HISHISHISHIS

Samples:

sample_1: BlaC, [U-100% 13C; U-100% 15N; U-80% 2H], 0.75 mM; MES 20 mM; DTT 1 mM; D2O, [U-2H], 6%

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection, processing

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

NMR spectrometers:

  • Bruker Avance 850 MHz

Related Database Links:

UNP P9WKD3

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts