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 5276

Title: NMR Structure of the Domain-I of the Kazal-type Thrombin Inhibitor Dipetalin   PubMed: 12051857

Authors: Schlott, B.; Wohnert, J.; Icke, C.; Hartmann, M.; Ramachandran, R.; Guhrs, K.-H.; Glusa, E.; Flemming, J.; Gorlach, M.; Grosse, F.; Ohlenschlager, O.

Citation: Schlott, B.; Wohnert, J.; Icke, C.; Hartmann, M.; Ramachandran, R.; Guhrs, K-H.; Glusa, E.; Flemming, J.; Gorlach, M.; Grosse, F.; Ohlenschlager, O.. "Interaction of Kazal-type Inhibitor Domains with Serine Proteinases: Biochemical and Structural Studies"  J. Mol. Biol. 318, 533-546 (2002).

Assembly members:
DIPETALIN, polymer, 55 residues, Formula weight is not available

Natural source:   Common Name: Dipetalogaster maximus   Taxonomy ID: 72496   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Dipetalogaster maximus

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

Entity Sequences (FASTA):
DIPETALIN: FQGNPCECPRALHRVCGSDG NTYSNPCMLTCAKHEGNPDL VQVHEGPCDEHDHDF

Data sets:
Data typeCount
13C chemical shifts183
15N chemical shifts53
1H chemical shifts303
coupling constants50

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1DIPETALIN1

Entities:

Entity 1, DIPETALIN 55 residues - Formula weight is not available

1   PHEGLNGLYASNPROCYSGLUCYSPROARG
2   ALALEUHISARGVALCYSGLYSERASPGLY
3   ASNTHRTYRSERASNPROCYSMETLEUTHR
4   CYSALALYSHISGLUGLYASNPROASPLEU
5   VALGLNVALHISGLUGLYPROCYSASPGLU
6   HISASPHISASPPHE

Samples:

sample_1: DIPETALIN, [U-15N], 1 mM; phosphate buffer 50 mM; NaCl 100 mM; EDTA 0.1 mM; D2O 6%; H2O 94%

sample_2: DIPETALIN, [U-15N; U-13C], 1.37 mM; phosphate buffer 50 mM; NaCl 100 mM; EDTA 0.1 mM; D2O 6%; H2O 94%

sample_cond_1: pH: 6.68; pressure: 1 atm; temperature: 288 K

Experiments:

NameSampleSample stateSample conditions
3D 15N-separated NOESYnot availablenot availablenot available
3D 13C-separated NOESYnot availablenot availablenot available
HNHAnot availablenot availablenot available

Software:

DYANA v1.5 - structure solution

OPAL v2.6 - refinement

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 6242
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