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 16436

Title: Solution structure of intermediate IIa of Leech-derived tryptase inhibitor, LDTI   PubMed: 19820233

Deposition date: 2009-08-03 Original release date: 2009-11-18

Authors: Pantoja-Uceda, David; Santoro, Jorge

Citation: Pantoja-Uceda, David; Arolas, Joan; Aviles, Francesc; Santoro, Jorge; Ventura, Salvador; Sommerhoff, Christian. "Deciphering the structural basis that guides the oxidative folding of leech-derived tryptase inhibitor."  J. Biol. Chem. 284, 35612-35620 (2009).

Assembly members:
LDTI_-_IIa, polymer, 44 residues, Formula weight is not available

Natural source:   Common Name: medicinal leech   Taxonomy ID: 6421   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Hirudo medicinalis

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
LDTI_-_IIa: KKVCACPKILKPVCGSDGRT YANSCIARCNGVSIKSEGSC PTGI

Data sets:
Data typeCount
1H chemical shifts262

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1LDTI_-_IIa1

Entities:

Entity 1, LDTI_-_IIa 44 residues - Formula weight is not available

1   LYSLYSVALCYSALACYSPROLYSILELEU
2   LYSPROVALCYSGLYSERASPGLYARGTHR
3   TYRALAASNSERCYSILEALAARGCYSASN
4   GLYVALSERILELYSSERGLUGLYSERCYS
5   PROTHRGLYILE

Samples:

sample_1: LDTI_-_IIa 1.7 mM

sample_2: LDTI_-_IIa 1.7 mM

sample_conditions_1: pH: 1.7; pressure: 1.0 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1

Software:

TOPSPIN v1.3, Bruker Biospin - collection, processing

NMRView v5.0.20, Johnson, One Moon Scientific - data analysis, peak picking

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER v9.0, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

Related Database Links:

BMRB 16435 16437 16438
PDB
GB AAB33769
SP P80424