BMRB Entry 16421

Title:
Solution Structure and Backbone Dynamics of the Trypanosoma cruzi Cysteine Protease Inhibitor Chagasin
Deposition date:
2009-07-23
Original release date:
2010-03-08
Authors:
Salmon, Didier; do Aido-Machado, Rodolpho; Diehl, Anne; Leidert, Martina; Schmetzer, Oliver; de A. Lima, Ana; Scharfstein, Julio; Oschkinat, Hartmut; Pires, Jose
Citation:

Citation: Salmon, Didier; do Aido-Machado, Rodolpho; Diehl, Anne; Scharfstein, Julio; de A. Lima, Ana; Scharfstein, Julio; Oschkinat, Hartmut; Pires, Jose. "Solution Structure and Backbone Dynamics of the Trypanosoma cruzi Cysteine Protease Inhibitor Chagasin"  J. Mol. Biol. 1, 1511-1521 (2006).
PubMed: 16490204

Assembly members:

Assembly members:
Chagasin, polymer, 111 residues, Formula weight is not available
cruzipain, polymer, 215 residues, 23102.82 Da.

Natural source:

Natural source:   Common Name: Trypanosoma cruzi   Taxonomy ID: 5693   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: Trypanosoma cruzi

Experimental source:

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

Data sets:
  • binding_constants
Data typeCount
binding constants2

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Chagasin1
2cruzipain2

Entities:

Entity 1, Chagasin 111 residues - Formula weight is not available

Region: 1-110

1   GLYSERSERHISLYSVALTHRLYSALAHIS
2   ASNGLYALATHRLEUTHRVALALAVALGLY
3   GLULEUVALGLUILEGLNLEUPROSERASN
4   PROTHRTHRGLYPHEALATRPTYRPHEGLU
5   GLYGLYTHRLYSGLUSERPROASNGLUSER
6   METPHETHRVALGLUASNLYSTYRPHEPRO
7   PROASPSERLYSLEULEUGLYALAGLYGLY
8   THRGLUHISPHEHISVALTHRVALLYSALA
9   ALAGLYTHRHISALAVALASNLEUTHRTYR
10   METARGPROTRPTHRGLYPROSERHISASP
11   SERGLUARGPHETHRVALTYRLEULYSALA
12   ASN

Entity 2, cruzipain 215 residues - 23102.82 Da.

1   ALAPROALAALAVALASPTRPARGALAARG
2   GLYALAVALTHRALAVALLYSASPGLNGLY
3   GLNCYSGLYSERCYSTRPALAPHESERALA
4   ILEGLYASNVALGLUCYSGLNTRPPHELEU
5   ALAGLYHISPROLEUTHRASNLEUSERGLU
6   GLNMETLEUVALSERCYSASPLYSTHRASP
7   SERGLYCYSSERGLYGLYLEUMETASNASN
8   ALAPHEGLUTRPILEVALGLNGLUASNASN
9   GLYALAVALTYRTHRGLUASPSERTYRPRO
10   TYRALASERGLYGLUGLYILESERPROPRO
11   CYSTHRTHRSERGLYHISTHRVALGLYALA
12   THRILETHRGLYHISVALGLULEUPROGLN
13   ASPGLUALAGLNILEALAALATRPLEUALA
14   VALASNGLYPROVALALAVALALAVALASP
15   ALASERSERTRPMETTHRTYRTHRGLYGLY
16   VALMETTHRSERCYSVALSERGLUGLNLEU
17   ASPHISGLYVALLEULEUVALGLYTYRASN
18   ASPSERALAALAVALPROTYRTRPILEILE
19   LYSASNSERTRPTHRTHRGLNTRPGLYGLU
20   GLUGLYTYRILEARGILEALALYSGLYSER
21   ASNGLNCYSLEUVALLYSGLUGLUALASER
22   SERALAVALVALGLY

Samples:

sample_1: Chagasin, [U-15N], 100 uM; phosphate buffer 20 mM; sodium chloride 50 mM; sodium azide 0.02%; H2O 90%; D2O 10%

sample_2: Chagasin, [U-15N], 100 uM; phosphate buffer 20 mM; sodium chloride 50 mM; sodium azide 0.02%; H2O 90%; D2O 10%; cruzipain 22 uM

sample_3: Chagasin, [U-15N], 100 uM; phosphate buffer 20 mM; sodium chloride 50 mM; sodium azide 0.02%; H2O 90%; D2O 10%; cruzipain 44 uM

sample_conditions_1: pH: 5.6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1

Software:

ARIA, Linge, O'Donoghue and Nilges - data analysis

XWIN-NMR v3.0, Bruker BioSpin GmbH, Germany - processing

SPARKY v3.106, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links:

PDB
EMBL CAC39242
SP Q966X9 P25779
BMRB 18236
DBJ BAA96735 BAA96736 BAA96737
GB AAA30181 AAB41118 AAB41119 AAC00067 AAF75546
REF XP_804236 XP_805951 XP_818578 XP_818579 XP_820174
AlphaFold Q966X9 P25779