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1H, 15N and 13C chemical shifts of T. cruzi Chagasin
Authors
Aido-Machado, R., Salmon, D., Diehl, A., Leidert, M., Schmetzer, O., Lima, A.P. DE A., Scharfstein, J., Oschkinat, H., Pires, J.R.
Assembly
Chagasin
Entity
1. Chagasin (polymer, Thiol state: not present), 111 monomers, 12052.28 Da Detail

GSSHKVTKAH NGATLTVAVG ELVEIQLPSN PTTGFAWYFE GGTKESPNES MFTVENKYFP PDSKLLGAGG TEHFHVTVKA AGTHAVNLTY MRPWTGPSHD SERFTVYLKA N


Formula weight
12052.28 Da
Source organism
Trypanosoma cruzi
Exptl. method
NMR
Refine. method
simulated annealing, torsion angle dynamics, water-box refinement
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 80.9 %, Completeness (bb): 82.5 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All80.9 % (1010 of 1248)85.7 % (547 of 638)70.6 % (351 of 497)99.1 % (112 of 113)
Backbone82.5 % (538 of 652)96.0 % (217 of 226)67.7 % (218 of 322)99.0 % (103 of 104)
Sidechain81.9 % (570 of 696)80.1 % (330 of 412)84.0 % (231 of 275)100.0 % (9 of 9)
Aromatic53.6 % (75 of 140)58.6 % (41 of 70)47.1 % (32 of 68)100.0 % (2 of 2)
Methyl92.0 % (103 of 112)89.3 % (50 of 56)94.6 % (53 of 56)

1. Chagasin

GSSHKVTKAH NGATLTVAVG ELVEIQLPSN PTTGFAWYFE GGTKESPNES MFTVENKYFP PDSKLLGAGG TEHFHVTVKA AGTHAVNLTY MRPWTGPSHD SERFTVYLKA N

Sample #1

Temperature 298 (±1) K, pH 5.6 (±0.1), Details pH 5.6


#NameIsotope labelingTypeConcentration
1Chagasin[U-13C; U-15N]0.3 mM
2Phosphate Buffer20 mM
3NaCl50 mM
Sample #2

Temperature 298 (±1) K, pH 5.6 (±0.1), Details pH 5.6


#NameIsotope labelingTypeConcentration
4Chagasin[U-13C; U-15N]0.7 mM
5Phosphate Buffer20 mM
6NaCl50 mM
Sample #3

Temperature 298 (±1) K, pH 5.6 (±0.1), Details pH 5.6


#NameIsotope labelingTypeConcentration
7Chagasin[U-15N]0.5 mM
8Phosphate Buffer20 mM
9NaCl50 mM
Sample #4

Temperature 298 (±1) K, pH 5.6 (±0.1), Details pH 5.6


#NameIsotope labelingTypeConcentration
10Chagasin1.2 mM
11Phosphate Buffer20 mM
12NaCl50 mM

LACS Plot; CA
Referencing offset: 0.08 ppm, Outliers: 5 Detail
LACS Plot; CB
Referencing offset: 0.08 ppm, Outliers: 5 Detail
LACS Plot; HA
Referencing offset: -0.07 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 15 models in PDB: 2FO8, Strand ID: A Detail


Release date
2007-01-28
Citation
1H, 15N and 13C assignments of the cysteine protease inhibitor chagasin from Trypanosoma cruzi
Aido-Machado, R., Salmon, D., Diehl, A., Leidert, M., Schmetzer, O., Lima, A.P. DE A., Scharfstein, J., Oschkinat, H., Pires, J.R.
J. Biomol. NMR (2006), 36 Suppl 1, 30-30, PubMed 16680406 , DOI 10.1007/s10858-006-0014-x ,
Related entities 1. Chagasin, : 1 : 8 : 14 entities Detail
Interaction partners 1. Chagasin, : 1 interactors Detail
Experiments performed 6 experiments Detail
nullKeywords Chagasin, cysteine protease inhibitor, NMR Assignments, Trypanosoma cruzi