BMRB Entry 16421
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16421
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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:
Chagasin, polymer, 111 residues, Formula weight is not available
cruzipain, polymer, 215 residues, 23102.82 Da.
Natural source: Common Name: Trypanosoma cruzi Taxonomy ID: 5693 Superkingdom: Eukaryota Kingdom: not available Genus/species: Trypanosoma cruzi
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: na
Entity Sequences (FASTA):
Chagasin: GSSHKVTKAHNGATLTVAVG
ELVEIQLPSNPTTGFAWYFE
GGTKESPNESMFTVENKYFP
PDSKLLGAGGTEHFHVTVKA
AGTHAVNLTYMRPWTGPSHD
SERFTVYLKAN
cruzipain: APAAVDWRARGAVTAVKDQG
QCGSCWAFSAIGNVECQWFL
AGHPLTNLSEQMLVSCDKTD
SGCSGGLMNNAFEWIVQENN
GAVYTEDSYPYASGEGISPP
CTTSGHTVGATITGHVELPQ
DEAQIAAWLAVNGPVAVAVD
ASSWMTYTGGVMTSCVSEQL
DHGVLLVGYNDSAAVPYWII
KNSWTTQWGEEGYIRIAKGS
NQCLVKEEASSAVVG
- binding_constants
| Data type | Count |
| binding constants | 2 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Chagasin | 1 |
| 2 | cruzipain | 2 |
Entities:
Entity 1, Chagasin 111 residues - Formula weight is not available
Region: 1-110
| 1 | GLY | SER | SER | HIS | LYS | VAL | THR | LYS | ALA | HIS | ||||
| 2 | ASN | GLY | ALA | THR | LEU | THR | VAL | ALA | VAL | GLY | ||||
| 3 | GLU | LEU | VAL | GLU | ILE | GLN | LEU | PRO | SER | ASN | ||||
| 4 | PRO | THR | THR | GLY | PHE | ALA | TRP | TYR | PHE | GLU | ||||
| 5 | GLY | GLY | THR | LYS | GLU | SER | PRO | ASN | GLU | SER | ||||
| 6 | MET | PHE | THR | VAL | GLU | ASN | LYS | TYR | PHE | PRO | ||||
| 7 | PRO | ASP | SER | LYS | LEU | LEU | GLY | ALA | GLY | GLY | ||||
| 8 | THR | GLU | HIS | PHE | HIS | VAL | THR | VAL | LYS | ALA | ||||
| 9 | ALA | GLY | THR | HIS | ALA | VAL | ASN | LEU | THR | TYR | ||||
| 10 | MET | ARG | PRO | TRP | THR | GLY | PRO | SER | HIS | ASP | ||||
| 11 | SER | GLU | ARG | PHE | THR | VAL | TYR | LEU | LYS | ALA | ||||
| 12 | ASN |
Entity 2, cruzipain 215 residues - 23102.82 Da.
| 1 | ALA | PRO | ALA | ALA | VAL | ASP | TRP | ARG | ALA | ARG | ||||
| 2 | GLY | ALA | VAL | THR | ALA | VAL | LYS | ASP | GLN | GLY | ||||
| 3 | GLN | CYS | GLY | SER | CYS | TRP | ALA | PHE | SER | ALA | ||||
| 4 | ILE | GLY | ASN | VAL | GLU | CYS | GLN | TRP | PHE | LEU | ||||
| 5 | ALA | GLY | HIS | PRO | LEU | THR | ASN | LEU | SER | GLU | ||||
| 6 | GLN | MET | LEU | VAL | SER | CYS | ASP | LYS | THR | ASP | ||||
| 7 | SER | GLY | CYS | SER | GLY | GLY | LEU | MET | ASN | ASN | ||||
| 8 | ALA | PHE | GLU | TRP | ILE | VAL | GLN | GLU | ASN | ASN | ||||
| 9 | GLY | ALA | VAL | TYR | THR | GLU | ASP | SER | TYR | PRO | ||||
| 10 | TYR | ALA | SER | GLY | GLU | GLY | ILE | SER | PRO | PRO | ||||
| 11 | CYS | THR | THR | SER | GLY | HIS | THR | VAL | GLY | ALA | ||||
| 12 | THR | ILE | THR | GLY | HIS | VAL | GLU | LEU | PRO | GLN | ||||
| 13 | ASP | GLU | ALA | GLN | ILE | ALA | ALA | TRP | LEU | ALA | ||||
| 14 | VAL | ASN | GLY | PRO | VAL | ALA | VAL | ALA | VAL | ASP | ||||
| 15 | ALA | SER | SER | TRP | MET | THR | TYR | THR | GLY | GLY | ||||
| 16 | VAL | MET | THR | SER | CYS | VAL | SER | GLU | GLN | LEU | ||||
| 17 | ASP | HIS | GLY | VAL | LEU | LEU | VAL | GLY | TYR | ASN | ||||
| 18 | ASP | SER | ALA | ALA | VAL | PRO | TYR | TRP | ILE | ILE | ||||
| 19 | LYS | ASN | SER | TRP | THR | THR | GLN | TRP | GLY | GLU | ||||
| 20 | GLU | GLY | TYR | ILE | ARG | ILE | ALA | LYS | GLY | SER | ||||
| 21 | ASN | GLN | CYS | LEU | VAL | LYS | GLU | GLU | ALA | SER | ||||
| 22 | SER | ALA | VAL | VAL | GLY |
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:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_3 | isotropic | sample_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