BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 16673

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16673

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Title: backbone resonance assignment for the class A beta-lactamase Bacillus licheniformis BS3   PubMed: 20556551

Deposition date: 2010-01-13 Original release date: 2010-06-28

Authors: Vandenameele, Julie; Matagne, Andre; Damblon, Christian

Citation: Vandenameele, Julie; Matagne, Andre; Damblon, Christian. "1H, 13C and 15N backbone resonance assignments for the BS3 class A -lactamase from Bacillus licheniformis."  Biomol. NMR Assignments 4, 195-197 (2010).

Assembly members:
BS3, polymer, 269 residues, Formula weight is not available

Natural source:   Common Name: bacillus licheniformis   Taxonomy ID: 1402   Superkingdom: Bacteria   Kingdom: not available   Genus/species: bacillus licheniformis

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

Entity Sequences (FASTA):
BS3: PAMAKTEMKDDFAKLEEQFD AKLGIFALDTGTNRTVTYRP DERFAFASTIKALTVGVLLQ QKSIEDLNQRITYTRDDLVN YNPITEKHVDTGMTLKELAD ASLRYSDNTAQNLILKQIGG PESLKKELRKIGDEVTNPER FEPELNEVNPGETQDTSTAR ALATSLQAFALEDKLPSEKR ELLIDWMKRNTTGDALIRAG VPEGWEVADKTGAGSYGTRN DIAIIWPPKGDPVVLAVLSS RDKKDAKYDDKLIAEATKVV VKALNMNGK

Data sets:
Data typeCount
13C chemical shifts781
15N chemical shifts256
1H chemical shifts256

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1BS31

Entities:

Entity 1, BS3 269 residues - Formula weight is not available

1   PROALAMETALALYSTHRGLUMETLYSASP
2   ASPPHEALALYSLEUGLUGLUGLNPHEASP
3   ALALYSLEUGLYILEPHEALALEUASPTHR
4   GLYTHRASNARGTHRVALTHRTYRARGPRO
5   ASPGLUARGPHEALAPHEALASERTHRILE
6   LYSALALEUTHRVALGLYVALLEULEUGLN
7   GLNLYSSERILEGLUASPLEUASNGLNARG
8   ILETHRTYRTHRARGASPASPLEUVALASN
9   TYRASNPROILETHRGLULYSHISVALASP
10   THRGLYMETTHRLEULYSGLULEUALAASP
11   ALASERLEUARGTYRSERASPASNTHRALA
12   GLNASNLEUILELEULYSGLNILEGLYGLY
13   PROGLUSERLEULYSLYSGLULEUARGLYS
14   ILEGLYASPGLUVALTHRASNPROGLUARG
15   PHEGLUPROGLULEUASNGLUVALASNPRO
16   GLYGLUTHRGLNASPTHRSERTHRALAARG
17   ALALEUALATHRSERLEUGLNALAPHEALA
18   LEUGLUASPLYSLEUPROSERGLULYSARG
19   GLULEULEUILEASPTRPMETLYSARGASN
20   THRTHRGLYASPALALEUILEARGALAGLY
21   VALPROGLUGLYTRPGLUVALALAASPLYS
22   THRGLYALAGLYSERTYRGLYTHRARGASN
23   ASPILEALAILEILETRPPROPROLYSGLY
24   ASPPROVALVALLEUALAVALLEUSERSER
25   ARGASPLYSLYSASPALALYSTYRASPASP
26   LYSLEUILEALAGLUALATHRLYSVALVAL
27   VALLYSALALEUASNMETASNGLYLYS

Samples:

sample_1: BS3, [U-100% 13C; U-100% 15N], 0.86 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

CcpNMR, CCPN - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker DRX 800 MHz

Related Database Links:

PDB
EMBL CAA23431 CAA71115
GB AAU21887 AAU39239 AFC75862 AGN34712 AJO16412
PRF 690942A
REF WP_003178584 WP_020449992 WP_023857755 WP_050792715
SP P00808

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