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 18659

Title: NMR solution structure of peptide epsilon(103-120) from Mycobacterium tuberculosis F-ATPsynthase   PubMed: 23089752

Deposition date: 2012-08-14 Original release date: 2013-08-12

Authors: Basak, Sandip; Rishikesan, Sankaranarayanan; Gruber, Gerhard

Citation: Biukovic, Goran; Basak, Sandip; Manimekalai, Malathy Sony Subramanian; Rishikesan, Sankaranarayanan; Roessle, Manfred; Dick, Thomas; Rao, Srinivasa; Hunke, Cornelia; Gruber, Gerhard. "Variations of subunit {epsilon} of the Mycobacterium tuberculosis F1FO ATP synthase and a novel model for mechanism of action of the TB drug TMC207."  Antimicrob. Agents Chemother. ., 168-176 (2012).

Assembly members:
epsilon_103-120, polymer, 18 residues, 1924.300 Da.

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

Experimental source:   Production method: chemical synthesis   Host organism: Mycobacterium tuberculosis

Entity Sequences (FASTA):
epsilon_103-120: DPRIAARGRARLRAVGAI

Data sets:
Data typeCount
1H chemical shifts114

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1peptide epsilon(103-120)1

Entities:

Entity 1, peptide epsilon(103-120) 18 residues - 1924.300 Da.

1   ASPPROARGILEALAALAARGGLYARGALA
2   ARGLEUARGALAVALGLYALAILE

Samples:

sample_1: epsilon103-120 2 mM; TFE, [U-99% 2H], 50%; sodium phosphate 25 mM; sodium chloride 300 mM

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment, chemical shift calculation, data analysis, peak picking

TALOS, Cornilescu, Delaglio and Bax - geometry optimization

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAH25634 BAL65266 BAQ05285 GAA45059
EMBL CAC31527 CAL71358 CAR71241 CCC26405 CCC43660
GB AAA63105 AAK45613 ABQ73060 ABR05681 ACT25749
PIR T09973
REF NP_215827 NP_301840 NP_854997 WP_003406708 WP_007773895
SP A1KI99 A5U210 B8ZR43 C1AMV5 P45822