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FF11-60
Authors
Barette, J., Velyvis, A., Religa, T.L., Korzhnev, D.M., Kay, L.E.
Assembly
FF11-60
Entity
1. FF11-60 (polymer, Thiol state: not present), 50 monomers, 5764.585 Da Detail

GNTKEEAKQA FKELLKEKRV PSNASWEQAM KMIINDPRYS ALAKLSEKKQ


Formula weight
5764.585 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 96.9 %, Completeness (bb): 97.6 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All96.9 % (601 of 620)97.3 % (324 of 333)96.6 % (224 of 232)96.4 % (53 of 55)
Backbone97.6 % (289 of 296)99.0 % (98 of 99)96.6 % (144 of 149)97.9 % (47 of 48)
Sidechain96.8 % (361 of 373)96.6 % (226 of 234)97.7 % (129 of 132)85.7 % (6 of 7)
Aromatic73.3 % (22 of 30)73.3 % (11 of 15)78.6 % (11 of 14) 0.0 % (0 of 1)
Methyl100.0 % (42 of 42)100.0 % (21 of 21)100.0 % (21 of 21)

1. FF11-60

GNTKEEAKQA FKELLKEKRV PSNASWEQAM KMIINDPRYS ALAKLSEKKQ

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 4.8, Details FF11-60


#NameIsotope labelingTypeConcentration
1sodium acetatenatural abundance20 mM
2sodium chloridenatural abundance50 mM
3sodium azidenatural abundance0.05 %
4FF11-60[U-100% 13C; U-100% 15N]1 mM
5H2Onatural abundance95 %
6D2Onatural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 4.8, Details FF11-60 A51L mutant to remove Ala chemical shift ambiguity


#NameIsotope labelingTypeConcentration
7sodium acetatenatural abundance20 mM
8sodium chloridenatural abundance50 mM
9sodium azidenatural abundance0.05 %
10FF11-60 A51L[U-100% 13C; U-100% 15N]1 mM
11H2Onatural abundance95 %
12D2Onatural abundance5 %
Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 273 K, pH 4.8, Details FF11-60 10% 13C-labelled sample for stereospecific methyl assignment experiment


#NameIsotope labelingTypeConcentration
1320mM sodium acetatenatural abundance20 mM
1450 mM sodium chloridenatural abundance50 mM
150.05% sodium azidenatural abundance0.05 %
16FF11-60[U-10% 13C; U-100% 15N]1 mM
17H2Onatural abundance95 %
18D2Onatural abundance5 %

LACS Plot; CA
Referencing offset: -0.18 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.18 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.04 ppm, Outliers: 3 Detail
LACS Plot; CO
Referencing offset: 0.31 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 10 models in PDB: 2LKS, Strand ID: A Detail


Release date
2011-11-20
Citation
Cross-validation of the structure of a transiently formed and low populated FF domain folding intermediate determined by relaxation dispersion NMR and CS-Rosetta
Barette, J., Velyvis, A., Religa, T.L., Korzhnev, D.M., Kay, L.E.
J. Phys. Chem. B (2012), 116, 6637-6644, PubMed 22148426 , DOI 10.1021/jp209974f ,
Related entities 1. FF11-60, : 1 : 8 : 50 entities Detail
Interaction partners 1. FF11-60, : 96 interactors Detail
Experiments performed 12 experiments Detail
NMR combined restraints 4 contents Detail
Keywords Protein