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BMRB: 30227


30227
5UGK
Zinc-Binding Structure of a Catalytic Amyloid from Solid-State NMR Spectroscopy
Authors
Lee, M., Wang, T., Makhlynets, O.V., Wu, Y., Polizzi, N., Wu, H., Gosavi, P.M., Korendovych, I.V., DeGrado, W.F., Hong, M.
Assembly
ILE-HIS-VAL-HIS-LEU-GLN-ILE
Entity
1. ILE-HIS-VAL-HIS-LEU-GLN-ILE, entity 1 (polymer, Thiol state: not present), 7 monomers, 859.0254 × 12 Da Detail

IHVHLQI


2. ILE-HIS-VAL-HIS-LEU-GLN-ILE, entity ZN (non-polymer), 65.409 × 12 Da
Total weight
11093.213 Da
Max. entity weight
859.0254 Da
Source organism
synthetic construct
Exptl. method
NMR
Refine. method
torsion angle dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 85.7 %, Completeness: 84.4 %, Completeness (bb): 82.1 % Detail
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Polymer type: polypeptide(L)

Total13C15N
All84.4 % (38 of 45)89.2 % (33 of 37)62.5 % (5 of 8)
Backbone82.1 % (23 of 28)85.7 % (18 of 21)71.4 % (5 of 7)
Sidechain87.5 % (21 of 24)91.3 % (21 of 23) 0.0 % (0 of 1)
Aromatic100.0 % (4 of 4)100.0 % (4 of 4)
Methyl100.0 % (8 of 8)100.0 % (8 of 8)

1. entity 1

IHVHLQI

Show sample condition
Sample #1

Solvent system pH 8 Tris buffer, Pressure 1 atm, Temperature 298 K, pH 8, Details 0.4 g/L [U-13C; U-15N] IVL, pH 8 Tris buffer


#NameIsotope labelingTypeConcentration
1IVL[U-13C; U-15N]0.4 g/L
Sample #2

Solvent system pH 8 Tris buffer, Pressure 1 atm, Temperature 298 K, pH 8, Details 0.4 g/L [U-13C] mixed sample, pH 8 Tris buffer


#NameIsotope labelingTypeConcentration
2mixed sample[U-13C]0.4 g/L

Protein Blocks Logo
Calculated from 20 models in PDB: 5UGK, Strand ID: A, C, E, G, I, K, O, Q, S, U, W, Y Detail

Release date
2017-02-01
Citation
Zinc-binding structure of a catalytic amyloid from solid-state NMR
Lee, M., Wang, T., Makhlynets, O.V., Wu, Y., Polizzi, N.F., Wu, H., Gosavi, P.M., Stohr, J., Korendovych, I.V., DeGrado, W.F., Hong, M.
Proc. Natl. Acad. Sci. U. S. A. (2017), 114, 6191-6196, PubMed 28566494 , DOI 10.1073/pnas.1706179114 ,
Experiments performed 4 experiments Detail
NMR combined restraints 2 contents Detail
Keywords Amyloid