BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 18533

Title: NMR solution structure of apo-MptpA

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

Citation: Stehle, Tanja; Sreeramulu, Sridhar; Loehr, 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. ., .-. (2012).

Assembly members:
mptpa, polymer, 164 residues, 17976.248 Da.

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 GVLRAHGYPTDHRAAQVGTE HLAADLLVALDRNHARLLRQ LGVEAARVRMLRSFDPRSGT HALDVEDPYYGDHSDFEEVF AVIESALPGLHDWVDERLAR NGPS

Data sets:
Data typeCount
13C chemical shifts516
15N chemical shifts159
1H chemical shifts1056

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1mptpa1

Entities:

Entity 1, mptpa 164 residues - 17976.248 Da.

The N-terminal Glycine 0 originates from cloning

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

Samples:

sample_13C15N: mptpa, [U-100% 13C; U-100% 15N], 1.2 mM; arginine / glutamine 50 mM; HEPES 25 mM; DTT 10 mM; H2O 90%; D2O 10%

sample_15N: mptpa, [U-100% 15N], 1.0 mM; arginine / glutamine 50 mM; HEPES 25 mM; DTT 10 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 M; pH: 7.0; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_15Nisotropicsample_conditions_1
2D 1H-13C HSQCsample_13C15Nisotropicsample_conditions_1
3D HNCACBsample_13C15Nisotropicsample_conditions_1
3D HCCH-TOCSYsample_13C15Nisotropicsample_conditions_1
3D (H)C(NC)Hsample_13C15Nisotropicsample_conditions_1
3D HCD(CG)CB-TOCSYsample_13C15Nisotropicsample_conditions_1
3D (H)CC(CO)NH-TOCSYsample_13C15Nisotropicsample_conditions_1
3D (H)CB(CG)CCH-TOCSYsample_13C15Nisotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_13C15Nisotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_13C15Nisotropicsample_conditions_1
3D 1H-15N NOESYsample_15Nisotropicsample_conditions_1
2D (T1,T2,HetNOE) 1H-15N HSQCsample_15Nisotropicsample_conditions_1
2D (IPAP) 1H-15N HSQCsample_15Nisotropicsample_conditions_1
2D (IPAP) 1H-15N HSQCsample_15Nanisotropicsample_conditions_1
3D HNHAsample_15Nisotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

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

CARA v1.8.4.2, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

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

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

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

NMR spectrometers:

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

Related Database Links:

UniProtKB/Swiss-Prot P65716
BMRB 19361 19388 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