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 19388

Title: The Apo-structure of the Low Molecular Weight Protein-tyrosine Phosphatase A (MptpA) from Mycobacterium tuberculosis Allows for Better Target-specific Drug Development   PubMed: 22888002

Authors: Stehle, Tanja; Sreeramulu, Sridhar; Lohr, Frank; Richter, Christian; Saxena, Krishna; Jonker, Hendrik; Schwalbe, Harold

Citation: Stehle, Tanja; Sreeramulu, Sridhar; Lohr, Frank; Richter, Christian; Saxena, Krishna; Jonker, Hendrik; Schwalbe, Harold. "The Apo-structure of the Low Molecular Weight Protein-tyrosine Phosphatase A (MptpA) from Mycobacterium tuberculosis Allows for Better Target-specific Drug Development"  J. Biol. Chem. 287, 34569-34582 (2012).

Assembly members:
MptpA, polymer, 164 residues, Formula weight is not available

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):
MptpA: GMSDPLHVTFVCTGNICRSP MAEKMFAQQLRHRGLGDAVR VTSAGTGNWHVGSCADERAA GVLRLHGYPTDHRAAQVGTE HLAADLLVALDRNHARLLRQ LGVEAARVRMLRSFDPRSGT HALDVEDPYYGDHSDFEEVF AVIESALPGLHDWVDERLAR NGPS

Data sets:
Data typeCount
heteronuclear NOE values134
order parameters119
T1 relaxation values136
T2 relaxation values133

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MptpA1

Entities:

Entity 1, MptpA 164 residues - Formula weight is not available

1   GLYMETSERASPPROLEUHISVALTHRPHE
2   VALCYSTHRGLYASNILECYSARGSERPRO
3   METALAGLULYSMETPHEALAGLNGLNLEU
4   ARGHISARGGLYLEUGLYASPALAVALARG
5   VALTHRSERALAGLYTHRGLYASNTRPHIS
6   VALGLYSERCYSALAASPGLUARGALAALA
7   GLYVALLEUARGLEUHISGLYTYRPROTHR
8   ASPHISARGALAALAGLNVALGLYTHRGLU
9   HISLEUALAALAASPLEULEUVALALALEU
10   ASPARGASNHISALAARGLEULEUARGGLN
11   LEUGLYVALGLUALAALAARGVALARGMET
12   LEUARGSERPHEASPPROARGSERGLYTHR
13   HISALALEUASPVALGLUASPPROTYRTYR
14   GLYASPHISSERASPPHEGLUGLUVALPHE
15   ALAVALILEGLUSERALALEUPROGLYLEU
16   HISASPTRPVALASPGLUARGLEUALAARG
17   ASNGLYPROSER

Samples:

sample_1: MptpA, [U-100% 15N], 1.0 mM; sodium chloride 150 mM; HEPES 50 mM; DTT 10 mM; D2O 10%; H2O 90%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 1H,1H-NOESY-15N-TROSYsample_1isotropicsample_conditions_1
3D 1H,1H-NOESY-13C-HSQC aliphaticsample_1isotropicsample_conditions_1
13C,1H-TROSY based 3D 13C separated 1H,1H-NOESY aromaticsample_1isotropicsample_conditions_1
T1 measurementsample_1anisotropicsample_conditions_1
T2 measurementsample_1anisotropicsample_conditions_1

Software:

ARIA v1.2, Linge, O, . - refinement, structure solution

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

CYANA v3.9, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY v3.114, Goddard - chemical shift assignment, data analysis, peak picking

TOPSPIN v2.1, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 500 MHz
  • Bruker Avance 700 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 900 MHz
  • Bruker Avance 950 MHz

Related Database Links:

BMRB 18533 19361 26513
PDB
DBJ BAH26529 BAL66249 BAQ06307 GAA45923
EMBL CAL72239 CCC27315 CCC44588 CCC64828 CCE37704
GB AAK46577 ABQ74015 ABR06594 ACT24805 AEB03885
REF NP_216750 NP_855907 WP_003411510 WP_003899227 WP_015288274
SP P65717 P9WIA0 P9WIA1