BMRB Entry 16157

Title:
alpha-amylase inhibitor Parvulustat (Z-2685) from Streptomyces parvulus
Deposition date:
2009-02-03
Original release date:
2009-03-30
Authors:
Rehm, Stephan; Han, Sigeng; Hassani, Ismail; Sokocevic, Alma; Jonker, Henry; Engels, Joachim; Schwalbe, Harald
Citation:

Citation: Rehm, Stephan; Han, Sigeng; Hassani, Ismail; Sokocevic, Alma; Jonker, Hendrik; Engels, Joachim; Schwalbe, Harald. "The High Resolution NMR Structure of Parvulustat (Z-2685) from Streptomyces parvulus FH-1641: Comparison with Tendamistat from Streptomyces tendae 4158"  ChemBioChem 10, 119-127 (2009).
PubMed: 19067455

Assembly members:

Assembly members:
Parvulustat, polymer, 78 residues, 8291.051 Da.

Natural source:

Natural source:   Common Name: Streptomyces parvulus   Taxonomy ID: 146923   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Streptomyces parvulus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Streptomyces lividans   Vector: pAX5a

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts250
15N chemical shifts70
1H chemical shifts412

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Parvulustat1

Entities:

Entity 1, Parvulustat 78 residues - 8291.051 Da.

1   ALATHRGLYSERPROVALALAGLUCYSVAL
2   GLUTYRPHEGLNSERTRPARGTYRTHRASP
3   VALHISASNGLYCYSALAASPALAVALSER
4   VALTHRVALGLUTYRTHRHISGLYGLNTRP
5   ALAPROCYSARGVALILEGLUPROGLYGLY
6   TRPALATHRPHEALAGLYTYRGLYTHRASP
7   GLYASNTYRVALTHRGLYLEUHISTHRCYS
8   ASPPROALATHRPROSERGLYVAL

Samples:

sample_CN: Parvulustat, [U-100% 13C; U-100% 15N], 0.5 mM; sodium phosphate 30 mM; sodium chloride 170 mM; sodium azide 0.01%; D2O 7.5%; H2O 92.5%

sample_N: Parvulustat, [U-100% 15N], 0.5 mM; sodium phosphate 30 mM; sodium chloride 170 mM; sodium azide 0.01%; D2O 7.5%; H2O 92.5%

sample_CN_D2O: Parvulustat, [U-100% 13C; U-100% 15N], 0.5 mM; sodium phosphate 30 mM; sodium chloride 170 mM; sodium azide 0.01%; D2O 100%

sample_N_D2O: Parvulustat, [U-100% 15N], 0.5 mM; sodium phosphate 30 mM; sodium chloride 170 mM; sodium azide 0.01%; D2O 100%

sample_conditions: ionic strength: 200 mM; pH: 6.6; pressure: 1.0 atm; temperature: 318 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_Nisotropicsample_conditions
2D 1H-13C HSQCsample_CN_D2Oisotropicsample_conditions
2D 1H-1H NOESYsample_Nisotropicsample_conditions
2D 1H-1H NOESYsample_N_D2Oisotropicsample_conditions
3D 1H-15N NOESYsample_Nisotropicsample_conditions
3D 1H-13C NOESYsample_CN_D2Oisotropicsample_conditions
3D HNCOsample_CNisotropicsample_conditions
3D HNCACBsample_CNisotropicsample_conditions
3D HBHA(CO)NHsample_CNisotropicsample_conditions
3D CBCA(CO)NHsample_CNisotropicsample_conditions
3D HNHAsample_Nisotropicsample_conditions
3D HCCH-TOCSYsample_CN_D2Oisotropicsample_conditions

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

XEASY, Bartels et al. - chemical shift assignment, data analysis, peak picking

SPARKY v3.113, Goddard - data analysis, peak picking

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

ARIA v1.2, Linge, O'Donoghue and Nilges - refinement

NMR spectrometers:

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

Related Database Links:

PDB
REF WP_046251552 WP_050990766 WP_051850840 WP_051890274
SP P07512
AlphaFold P07512

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