BMRB Entry 19605

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19605
MolProbity Validation Chart

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NMR-STAR v3 text file.
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Title:
PonA2-PASTA
Deposition date:
2013-11-11
Original release date:
2013-12-23
Authors:
Calvanese, Luisa; Falcigno, Lucia; Maglione, Cira; Marasco, Daniela; Ruggiero, Alessia; Squeglia, Flavia; Berisio, Rita; D'Auria, Gabriella
Citation:

Citation: Calvanese, Luisa; Falcigno, Lucia; Maglione, Cira; Marasco, Daniela; Ruggiero, Alessia; Squeglia, Flavia; Berisio, Rita. "Structural and binding properties of the PASTA domain of PonA2, a key penicillin binding protein from Mycobacterium tuberculosis."  Biopolymers 101, 712-719 (2014).
PubMed: 24281824

Assembly members:

Assembly members:
PonA2-PASTA, polymer, 65 residues, 6578.274 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pETM-11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PonA2-PASTA: GSRVPSVAGLDVDAARQRLK DAGFQVADQTNSVNSSAKYG EVVGTSPSGQTIPGSIVTIQ ISNGI

Data sets:
Data typeCount
13C chemical shifts245
15N chemical shifts61
1H chemical shifts402

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1PASTA domain of PonA21

Entities:

Entity 1, PASTA domain of PonA2 65 residues - 6578.274 Da.

1   GLYSERARGVALPROSERVALALAGLYLEU
2   ASPVALASPALAALAARGGLNARGLEULYS
3   ASPALAGLYPHEGLNVALALAASPGLNTHR
4   ASNSERVALASNSERSERALALYSTYRGLY
5   GLUVALVALGLYTHRSERPROSERGLYGLN
6   THRILEPROGLYSERILEVALTHRILEGLN
7   ILESERASNGLYILE

Samples:

PonA2-PASTA_sample: PonA2-PASTA1.5 – 1.6 mM; D2O, [U-100% 2H], 10%; sodium phosphate 30 mM; sodium azide 0.02%; Phosphate buffer, natural abudnance, 90%

PonA2-PASTA-15N: PonA2-PASTA, [U-100% 15N], 1.8 – 1.9 mM; D2O, [U-100% 2H], 10%; sodium phosphate 30 mM; sodium azide 0.02%; Phosphate buffer, natural abudnance, 90%

PonA2-PASTA-15N13C: PonA2-PASTA, [U-100% 13C; U-100% 15N], 1.3 mM; D2O 10%; sodium phosphate 30 mM; sodium azide 0.02%; H2O, natural abudnance, 90%

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCPonA2-PASTA-15Nisotropicsample_conditions_1
3D 1H-15N TOCSYPonA2-PASTA-15Nisotropicsample_conditions_1
3D 1H-15N NOESYPonA2-PASTA-15Nisotropicsample_conditions_1
2D 1H-1H TOCSYPonA2-PASTA_sampleisotropicsample_conditions_1
2D 1H-1H NOESYPonA2-PASTA_sampleisotropicsample_conditions_1
2D DQF-COSYPonA2-PASTA_sampleisotropicsample_conditions_1
3D HNCOPonA2-PASTA-15N13Cisotropicsample_conditions_1
3D HNCACBPonA2-PASTA-15N13Cisotropicsample_conditions_1
3D HCCH-TOCSYPonA2-PASTA-15N13Cisotropicsample_conditions_1
3D CBCA(CO)NHPonA2-PASTA-15N13Cisotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA v1.9.0 Beta 3, (CARA) Rochus Keller and others - chemical shift assignment, data analysis, peak picking

SPARKY v3, Goddard - processing

TALOS, Cornilescu, Delaglio and Bax - data analysis

ProcheckNMR, Laskowski and MacArthur - structure validation

PSVS, Bhattacharya and Montelione - structure validation

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 500 MHz

Related Database Links:

PDB
DBJ BAH28013 BAL67802 BAQ07902 GAA43569
EMBL CAL73730 CCC28759 CCC46034 CCC66298 CCE39103
GB AAK48151 ABQ75506 ABR08038 ACT26832 AEB05877
PIR C70791
REF NP_857346 WP_003419746 WP_003906179 WP_003909062 WP_003909977

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