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The solution structure of the N-terminal fragment of big defensin
Authors
Kouno, T., Mizuguchi, M., Aizawa, T., Shinoda, H., Demura, M., Kawabata, S., Kawano, K.
Assembly
big-N
Entity
1. big-N (polymer, Thiol state: not present), 30 monomers, 2887.329 Da Detail

PAIYIGATVG PSVWAYLVAL VGAAAVTAAN


Formula weight
2887.329 Da
Source organism
Tachypleus tridentatus
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 95.9 %, Completeness (bb): 98.4 % Detail

Polymer type: polypeptide(L)

Total1H
All95.9 % (141 of 147)95.9 % (141 of 147)
Backbone98.4 % (60 of 61)98.4 % (60 of 61)
Sidechain94.2 % (81 of 86)94.2 % (81 of 86)
Aromatic92.9 % (13 of 14)92.9 % (13 of 14)
Methyl93.1 % (27 of 29)93.1 % (27 of 29)

1. A chain

PAIYIGATVG PSVWAYLVAL VGAAAVTAAN

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 3.5


#NameIsotope labelingTypeConcentration
1A chainnatural abundanceprotein0.3 ~ 0.35 mM
2SDS[U-99% 2H]lipid100 mM
3acetic acid[U-99% 2H]buffer50 mM
4sodium chloridenatural abundancesalt20 mM
5H2Osolvent95 %
6D2Osolvent5 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 3.5


#NameIsotope labelingTypeConcentration
7A chainnatural abundanceprotein0.3 ~ 0.35 mM
8SDS[U-99% 2H]lipid100 mM
9acetic acid[U-99% 2H]buffer50 mM
10sodium chloridenatural abundancesalt20 mM
11D2Osolvent100 %

Protein Blocks Logo
Calculated from 20 models in PDB: 2RQ2, Strand ID: A Detail


Release date
2009-07-13
Citation
A novel beta-defensin structure: big defensin changes its N-terminal structure to associate with the target membrane
Kouno, T., Mizuguchi, M., Aizawa, T., Shinoda, H., Demura, M., Kawabata, S., Kawano, K.
Biochemistry (2009), 48, 7629-7635, PubMed 19588912 , DOI 10.1021/bi900756y ,
Related entities 1. big-N, : 1 : 2 entities Detail
Experiments performed 6 experiments Detail
nullKeywords antimicrobial peptide