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 26513

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, Harald

Citation: Stehle, Tanja; Sreeramulu, Sridhar; Lohr, Frank; Richter, Christian; Saxena, Krishna; Jonker, Hendrik; Schwalbe, Harald. "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, 167 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: GAMGMSDPLHVTFVCTGNIC RSPMAEKMFAQQLRHRGLGD AVRVTSAGTGNWHVGSCADE RAAGVLRLHGYPTDHRAAQV GTEHLAADLLVALDRNHARL LRQLGVEAARVRMLRSFDPR SGTHALDVEDPYYGDHSDFE EVFAVIESALPGLHDWVDER LARNGPS

Data sets:
Data typeCount
heteronuclear NOE values132
T1 relaxation values136
T2 relaxation values133
order parameters119

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MptpA1

Entities:

Entity 1, MptpA 167 residues - Formula weight is not available

1   GLYALAMETGLYMETSERASPPROLEUHIS
2   VALTHRPHEVALCYSTHRGLYASNILECYS
3   ARGSERPROMETALAGLULYSMETPHEALA
4   GLNGLNLEUARGHISARGGLYLEUGLYASP
5   ALAVALARGVALTHRSERALAGLYTHRGLY
6   ASNTRPHISVALGLYSERCYSALAASPGLU
7   ARGALAALAGLYVALLEUARGLEUHISGLY
8   TYRPROTHRASPHISARGALAALAGLNVAL
9   GLYTHRGLUHISLEUALAALAASPLEULEU
10   VALALALEUASPARGASNHISALAARGLEU
11   LEUARGGLNLEUGLYVALGLUALAALAARG
12   VALARGMETLEUARGSERPHEASPPROARG
13   SERGLYTHRHISALALEUASPVALGLUASP
14   PROTYRTYRGLYASPHISSERASPPHEGLU
15   GLUVALPHEALAVALILEGLUSERALALEU
16   PROGLYLEUHISASPTRPVALASPGLUARG
17   LEUALAARGASNGLYPROSER

Samples:

sample_1: MptpA, [U-15N], 1.0 mM; NaCl 150 mM; HEPES 50 mM; DTT 10 mM

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

Experiments:

NameSampleSample stateSample conditions
3D 1H, 1H-NOESY-15N TROSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
15N-{1H} NOEsample_1isotropicsample_conditions_1

Software:

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

SPARKY v3.114, Goddard - peak picking, data analysis

ARIA v1.2, Linge, O, . - structure calculation

TOPSPIN v2.1, Bruker Biospin - processing

ModelFree, Palmer - data analysis

CARA v1.8.4.2, Keller and Wuthrich - data analysis

NMR spectrometers:

  • Bruker TXI-HCN 600 MHz
  • Bruker TXI-HCN 500 MHz
  • Bruker TXI-HCN 700 MHz
  • Bruker TXI-HCN 800 MHz
  • Bruker TXI-HCN 900 MHz
  • Bruker TXI-HCN 950 MHz

Related Database Links:

BMRB 18533 19361 19388
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