BMRB Entry 6876
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6876
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Title: 1H, 15N and 13C chemical shifts of T. cruzi Chagasin PubMed: 16680406
Deposition date: 2005-10-25 Original release date: 2007-01-29
Authors: Aido-Machado, Rodolpho do; Salmon, Didier; Diehl, Anne; Leidert, Martina; Schmetzer, Oliver; Lima, Ana; Scharfstein, Julio; Oschkinat, Hartmut; Pires, Jose
Citation: Aido-Machado, Rodolpho do; Salmon, Didier; Diehl, Anne; Leidert, Martina; Schmetzer, Oliver; Lima, Ana; Scharfstein, Julio; Oschkinat, Hartmut; Pires, Jose. "1H, 15N and 13C assignments of the cysteine protease inhibitor Chagasin from Trypanosoma cruzi" J. Biomol. NMR 36, 30-30 (2006).
Assembly members:
Chagasin, polymer, 111 residues, Formula weight is not available
Natural source: Common Name: Trypanosoma cruzi Taxonomy ID: 5693 Superkingdom: Eukaryota Kingdom: Protista Genus/species: Trypanosoma cruzi
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Chagasin: GSSHKVTKAHNGATLTVAVG
ELVEIQLPSNPTTGFAWYFE
GGTKESPNESMFTVENKYFP
PDSKLLGAGGTEHFHVTVKA
AGTHAVNLTYMRPWTGPSHD
SERFTVYLKAN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 335 |
| 15N chemical shifts | 113 |
| 1H chemical shifts | 648 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Chagasin | 1 |
Entities:
Entity 1, Chagasin 111 residues - Formula weight is not available
| 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 |
Samples:
sample_1: Chagasin, [U-13C; U-15N], 0.3 mM; Phosphate Buffer 20 mM; NaCl 50 mM
sample_2: Chagasin, [U-13C; U-15N], 0.7 mM; Phosphate Buffer 20 mM; NaCl 50 mM
sample_3: Chagasin, [U-15N], 0.5 mM; Phosphate Buffer 20 mM; NaCl 50 mM
sample_4: Chagasin 1.2 mM; Phosphate Buffer 20 mM; NaCl 50 mM
conditions_1: pH: 5.6; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| triple-resonance experiments | not available | not available | conditions_1 |
| 13C_NOESY HMQC | not available | not available | conditions_1 |
| 15N NOESY HSQC | not available | not available | conditions_1 |
| 2D NOESY | not available | not available | conditions_1 |
| 2D TOCSY | not available | not available | conditions_1 |
| 1H15N_HSQC | not available | not available | conditions_1 |
Software:
ARIA v1.2, Michael Nilges et al. -
NMR spectrometers:
Download simulated HSQC data in one of the following formats:
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SPARKY: Backbone
or all simulated shifts