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 5688

Title: Backbone 1H, 13C, and 15N Chemical Shifts Assignment for the all-trans conformer of the cathelin-like domain of the protegrin-3 precursor   PubMed: 12705830

Deposition date: 2003-02-07 Original release date: 2003-10-08

Authors: Yang, Y.; Sanchez, J.; Strub, M.; Brutscher, B.; Aumelas, A.

Citation: Yang, Y.; Sanchez, J.; Strub, M.; Brutscher, B.; Aumelas, A.. "NMR Structure of the Cathelin-like Domain of the Protegrin-3 Precursor"  Biochemistry 42, 4669-4680 (2003).

Assembly members:
cathelin-like domain, polymer, 105 residues, Formula weight is not available

Natural source:   Common Name: Pig   Taxonomy ID: 9823   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Sus scrofa

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
cathelin-like domain: GSHMQALSYREAVLRAVDRL NEQSSEANLYRLLELDQPPK ADEDPGTPKPVSFTVKETVC PRPTRQPPELCDFKENGRVK QCVGTVTLDQIKDPLDITCN EVQGV

Data typeCount
1H chemical shifts2824
13C chemical shifts780
15N chemical shifts372

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Cathelin-like domain of protegrins1

Entities:

Entity 1, Cathelin-like domain of protegrins 105 residues - Formula weight is not available

1   GLYSERHISMETGLNALALEUSERTYRARG
2   GLUALAVALLEUARGALAVALASPARGLEU
3   ASNGLUGLNSERSERGLUALAASNLEUTYR
4   ARGLEULEUGLULEUASPGLNPROPROLYS
5   ALAASPGLUASPPROGLYTHRPROLYSPRO
6   VALSERPHETHRVALLYSGLUTHRVALCYS
7   PROARGPROTHRARGGLNPROPROGLULEU
8   CYSASPPHELYSGLUASNGLYARGVALLYS
9   GLNCYSVALGLYTHRVALTHRLEUASPGLN
10   ILELYSASPPROLEUASPILETHRCYSASN
11   GLUVALGLNGLYVAL

Samples:

sample_1: cathelin-like domain, [U-15N; U-13C], 1.5 – 2 mM; phosphate buffer 50 mM; H2O 95%; D2O 5%

sample_2: cathelin-like domain, [U-15N; U-13C], 1.5 – 2 mM; phosphate buffer 50 mM; D2O 100%

sample_cond_1: pH: 6.2; temperature: 300 K; ionic strength: 100 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
HNCAnot availablenot availablenot available
HNCOnot availablenot availablenot available
CBCA(CO)NHnot availablenot availablenot available
3D 15N-separated NOESYnot availablenot availablenot available
HC(C)H-TOCSYnot availablenot availablenot available
3D 13C-separated NOESYnot availablenot availablenot available

Software:

GIFA v4.4 - processing

X-PLOR v3.8 - refinement

XWINNMR v2.0 -

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Varian INOVA 800 MHz

Related Database Links:

PDB
EMBL CAA56251 CAA58240 CAA58241 CAA58890 CAA58891
GB AAA31061
PRF 2013229A
REF NP_001116621 NP_001116622 NP_001123438
SP P32194 P32195 P32196 P49933 P49934

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts