BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25026

Title: NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50

Deposition date: 2014-06-18 Original release date: 2014-09-02

Authors: Dutta, Samit; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt

Citation: Dutta, Samit; Serrano, Pedro; Geralt, Michael; Wuthrich, Kurt. "NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50"  .

Assembly members:
entity, polymer, 152 residues, 16609.299 Da.

Natural source:   Common Name: firmicutes   Taxonomy ID: 158878   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Staphylococcus aureus

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

Entity Sequences (FASTA):
entity: GEEKMTNGQLWKKVKDSLID SNIISGNENEEITVTYVNKT GYSSSVSAYGNNNDDFSSTP SNFSKLKEIDLKKDNVPSDD FNTTVSGEDSWKTLTSKLKE KGLVTDGQTVTIHCNDKSDN TKSSVSGKVGADLTSGNGTT FKKRFIDKITID

Data sets:
Data typeCount
1H chemical shifts1008
13C chemical shifts484
15N chemical shifts164

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 152 residues - 16609.299 Da.

1   GLYGLUGLULYSMETTHRASNGLYGLNLEU
2   TRPLYSLYSVALLYSASPSERLEUILEASP
3   SERASNILEILESERGLYASNGLUASNGLU
4   GLUILETHRVALTHRTYRVALASNLYSTHR
5   GLYTYRSERSERSERVALSERALATYRGLY
6   ASNASNASNASPASPPHESERSERTHRPRO
7   SERASNPHESERLYSLEULYSGLUILEASP
8   LEULYSLYSASPASNVALPROSERASPASP
9   PHEASNTHRTHRVALSERGLYGLUASPSER
10   TRPLYSTHRLEUTHRSERLYSLEULYSGLU
11   LYSGLYLEUVALTHRASPGLYGLNTHRVAL
12   THRILEHISCYSASNASPLYSSERASPASN
13   THRLYSSERSERVALSERGLYLYSVALGLY
14   ALAASPLEUTHRSERGLYASNGLYTHRTHR
15   PHELYSLYSARGPHEILEASPLYSILETHR
16   ILEASP

Samples:

sample_1: entity, [U-99% 13C; U-98% 15N], 1.2 mM; sodium phosphate 20 mM; sodium chloride 50 mM; sodium azide 5 mM; H2O 95%; D2O 5%

sample_conditions_1: temperature: 308 K; pH: 6.0; pressure: 1 atm; ionic strength: 0.0798 M

Experiments:

NameSampleSample stateSample conditions
APSY 4D-HACANHsample_1isotropicsample_conditions_1
APSY 5D-HACACONHsample_1isotropicsample_conditions_1
APSY 5D-CBCACONHsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1

Software:

CYANA, G??ntert P. - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz

Related Database Links:

PDB
DBJ BAB42901 BAB57977 BAF78683
EMBL CBX35026 CCJ11292 CCJ13257 CCJ15221 CCJ19148
GB ABQ49653 ABR52738 ACY11710 ADC37981 AHM70591
REF WP_001092756 WP_001092778 WP_001092779 WP_001092780 WP_001092781

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