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 27890

Title: BlaC in bound to clavulanic acid

Authors: Elings, Wouter; Ubbink, Marcellus

Citation: Elings, Wouter; Blok, Anneloes; Timmer, Monika; Ubbink, Marcellus. "BlaC in bound to clavulanic acid"  Not known ., .-..

Assembly members:
BlaC, polymer, 266 residues, Formula weight is not available
entity_J01, non-polymer, 199.161 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 shifts237
15N chemical shifts220
1H chemical shifts220
T1 relaxation values233
T2 relaxation values441
heteronuclear NOE values243
order parameters182

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BlaC1
2clavulanic acid2

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, clavulanic acid - C8 H9 N O5 - 199.161 Da.

1   J01

Samples:

sample_1: BlaC, [U-100% 13C; U-100% 15N], 0.4 mM; MES 94 mM; D2O, [U-2H], 6%; Clavulanic acid 186 mM

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

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
Pseudo-3D NOEsample_1isotropicsample_conditions_1
Pseudo-3D T1sample_1isotropicsample_conditions_1
Pseudo-3D T2sample_1isotropicsample_conditions_1
Pseudo-3D CPMG-RDsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection, 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]